Q105227677

[object Object]
Name2-isopropyl-5-methyl-9-methylidenecyclodec-5-en-1-one
WikidataQ105227677
Mol. formulaC15H24O
CAS registry number-
Mol. weight220.351

Representations

Temporary LOTUS idLTS0257046
Name2-isopropyl-5-methyl-9-methylidenecyclodec-5-en-1-one
Canonical SMILESC=C1CCC=C(C)CCC(C(C)C)C(=O)C1
2D SMILESC=C1CCC=C(C)CCC(C(C)C)C(=O)C1
IUPAC name5-methyl-9-methylidene-2-(propan-2-yl)cyclodec-5-en-1-one
InChIInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3
InChIKeyQTFJNWQFKJITEE-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=CCCCCCCCC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Acoraceae  Acorus  Acorus calamus Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Acoraceae  Acorus  Acorus calamus Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Baccharis  Baccharis latifolia Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsGermacrane sesquiterpenoids

Molecular Properties

Total atom number40
Heavy atom number16
Bond count16
Number of carbons15
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1.03
Alogp4.23
Alogp217.87
Apol 43.205
Bpol 27.195
EccentricConnectivityIndexDescriptor 182
FmfDescriptor 0.625
Fsp3 0.6667
FragmentComplexityDescriptor 1360.01
PetitjeanNumber 0.2857
LipinskiRuleOf5Failures 0
WienerPathNumber420
Xlogp 3.892
ZagrebIndex 74
TopoPSA 17.07