Q105153088

[object Object]
Name(1r,4ar,7r)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-octahydronaphthalen-1-ol
WikidataQ105153088
Mol. formulaC15H28O2
CAS registry number-
Mol. weight240.3822

Representations

Temporary LOTUS idLTS0141269
Name(1r,4ar,7r)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-octahydronaphthalen-1-ol
Canonical SMILESCC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)C2C1
2D SMILESCC(C)(O)C1CCC2(C)CCCC(C)(O)C2C1
IUPAC name(1R,4aR,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol
InChIInChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12?,14-,15-/m1/s1
InChIKeyLKKDASYGWYYFIK-FMCMVYLNSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1CCC2CCCCC2C1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Meliaceae  Cedrela  Cedrela fissilis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsEudesmane sesquiterpenoids

Molecular Properties

Total atom number45
Heavy atom number17
Bond count18
Number of carbons15
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1.77
Alogp2.7
Alogp27.29
Apol 46.6742
Bpol 30.6098
EccentricConnectivityIndexDescriptor 194
FmfDescriptor 0.5882
Fsp3 1
FragmentComplexityDescriptor 1844.02
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber456
Xlogp 3.575
ZagrebIndex 96
TopoPSA 40.46