Q105202146

[object Object]
Name5-methyl-3-[(1e)-tetradec-1-en-1-yl]-5h-furan-2-one
WikidataQ105202146
Mol. formulaC19H32O2
CAS registry number-
Mol. weight292.4569

Representations

Temporary LOTUS idLTS0240263
Name5-methyl-3-[(1e)-tetradec-1-en-1-yl]-5h-furan-2-one
Canonical SMILESCCCCCCCCCCCC/C=C/C1=CC(C)OC1=O
2D SMILESCCCCCCCCCCCCC=CC1=CC(C)OC1=O
IUPAC name5-methyl-3-[(1E)-tetradec-1-en-1-yl]-2,5-dihydrofuran-2-one
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17(2)21-19(18)20/h14-17H,3-13H2,1-2H3/b15-14+
InChIKeyOWNIRRPVQFRFNQ-CCEZHUSRSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC=CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Litsea  Litsea akoensis Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Lindera  Lindera glauca Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesLinear polyketidesAcetogenins

Molecular Properties

Total atom number53
Heavy atom number21
Bond count21
Number of carbons19
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 0.98
Alogp6.7
Alogp244.87
Apol 56.3814
Bpol 37.8566
EccentricConnectivityIndexDescriptor 557
FmfDescriptor 0.2381
Fsp3 0.7368
FragmentComplexityDescriptor 2389.02
PetitjeanNumber 0.4706
LipinskiRuleOf5Failures 2
WienerPathNumber1385
Xlogp 8.156
ZagrebIndex 90
TopoPSA 26.3