Q105188698

[object Object]
Name2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
WikidataQ105188698
Mol. formulaC40H56
CAS registry number-
Mol. weight536.8741

Representations

Temporary LOTUS idLTS0219851
Name2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Canonical SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
2D SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
IUPAC name2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
InChIInChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3
InChIKeyOAIJSZIZWZSQBC-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Bacteria  Proteobacteria  Rhodospirillaceae  Rhodovibrio  Rhodovibrio salinarum Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rutaceae  Citrus  Citrus reticulata Wikidata logo

DomainPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Bacteria  Proteobacteria  Rhodobiaceae  Afifella  Afifella marina Wikidata logo

KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Fungi  Zygomycota  Phycomycetaceae  Phycomyces  Phycomyces blakesleeanus 

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Basidiomycota  Sporidiobolaceae  Rhodotorula  Rhodotorula sanniei 
 Eukaryota  Fungi  Basidiomycota  Sporidiobolaceae  Rhodotorula  Rhodotorula rubra Wikidata logo
 Eukaryota  Fungi  Basidiomycota  Sporidiobolaceae  Rhodotorula  Rhodotorula mucilaginosa Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Ebenaceae  Diospyros  Diospyros kaki Wikidata logo

KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Bacteria  Firmicutes  Staphylococcaceae  Staphylococcus  Staphylococcus aureus 

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Primulaceae  Cyclamen  Cyclamen persicum Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Calendula  Calendula officinalis Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Commelinaceae  Palisota  Palisota barteri Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Elaeagnaceae  Shepherdia  Shepherdia canadensis Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Basidiomycota  Phallaceae  Phallus  Phallus rugulosus 

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rosaceae  Rosa  Rosa villosa Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Basidiomycota  Mrakiaceae  Xanthophyllomyces  Xanthophyllomyces dendrorhous Wikidata logo
 Eukaryota  Fungi  Basidiomycota  Mrakiaceae  Phaffia  Phaffia rhodozyma Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myrtaceae  Psidium  Psidium guajava Wikidata logo

DomainKingdomFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Blastocladiaceae  Allomyces  Allomyces javanicus Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Gnaphalium  Gnaphalium uliginosum Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Elaeagnaceae  Shepherdia  Shepherdia canadensis Wikidata logo

KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Bignoniaceae  Tecoma  Tecoma capensis 

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rosaceae  Pyracantha  Pyracantha angustifolia Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsCarotenoids (C40)Carotenoids (C40, Ψ-Ψ)

Molecular Properties

Total atom number96
Heavy atom number40
Bond count39
Number of carbons40
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1
Alogp12.76
Alogp2162.85
Apol 107.7404
Bpol 61.2196
EccentricConnectivityIndexDescriptor 1834
FmfDescriptor 0
Fsp3 0.35
FragmentComplexityDescriptor 7465
PetitjeanNumber 0.4839
LipinskiRuleOf5Failures 3
WienerPathNumber8904
Xlogp 14.586
ZagrebIndex 170
TopoPSA 0