Q105120250

[object Object]
Name2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl)prop-2-en-1-ol
WikidataQ105120250
Mol. formulaC15H24O
CAS registry number-
Mol. weight220.351

Representations

Temporary LOTUS idLTS0116038
Name2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl)prop-2-en-1-ol
Canonical SMILESC=C(CO)C1CCC2(C)CCCC(C)=C2C1
2D SMILESC=C(CO)C1CCC2(C)CCCC(C)=C2C1
IUPAC name2-(4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)prop-2-en-1-ol
InChIInChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13,16H,2,4-10H2,1,3H3
InChIKeyITRHZWKEZJYJQO-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=C2CCCCC2CCC1

Organism taxonomy


KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Cupressaceae  Cupressus  Cupressus dupreziana 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Neocallitropsis  Neocallitropsis pancheri Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsEudesmane sesquiterpenoids

Molecular Properties

Total atom number40
Heavy atom number16
Bond count17
Number of carbons15
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp3.86
Alogp214.88
Apol 43.205
Bpol 26.237
EccentricConnectivityIndexDescriptor 205
FmfDescriptor 0.625
Fsp3 0.7333
FragmentComplexityDescriptor 1441.01
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber409
Xlogp 3.519
ZagrebIndex 84
TopoPSA 20.23