Q105159091

[object Object]
Name(2r,4as,7r)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-ol
WikidataQ105159091
Mol. formulaC15H26O2
CAS registry number-
Mol. weight238.3663

Representations

Temporary LOTUS idLTS0220263
Name(2r,4as,7r)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-ol
Canonical SMILESCC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)CC[C@H]1O
2D SMILESCC1=C2CC(C(C)(C)O)CCC2(C)CCC1O
IUPAC name(2R,4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
InChIInChI=1S/C15H26O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h11,13,16-17H,5-9H2,1-4H3/t11-,13-,15+/m1/s1
InChIKeyLXUVAWHYPMSDSM-KYOSRNDESA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=C2CCCCC2CCC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Machilus  Machilus japonica Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsEudesmane sesquiterpenoids

Molecular Properties

Total atom number43
Heavy atom number17
Bond count18
Number of carbons15
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1.38
Alogp2.76
Alogp27.61
Apol 45.3406
Bpol 28.4234
EccentricConnectivityIndexDescriptor 200
FmfDescriptor 0.5882
Fsp3 0.8667
FragmentComplexityDescriptor 1664.02
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber466
Xlogp 2.01
ZagrebIndex 94
TopoPSA 40.46