Q105192238

[object Object]
Name(3e)-2-methyl-5-[(1r,2s,3r,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]pent-3-en-2-ol
WikidataQ105192238
Mol. formulaC15H24O
CAS registry number-
Mol. weight220.351

Representations

Temporary LOTUS idLTS0267418
Name(3e)-2-methyl-5-[(1r,2s,3r,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]pent-3-en-2-ol
Canonical SMILESCC(C)(O)/C=C/C[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C
2D SMILESCC(C)(O)C=CCC1(C)C2CC3C(C2)C31C
IUPAC name(3E)-2-methyl-5-[(1R,2S,3R,4r,6S)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]pent-3-en-2-ol
InChIInChI=1S/C15H24O/c1-13(2,16)6-5-7-14(3)10-8-11-12(9-10)15(11,14)4/h5-6,10-12,16H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,14-,15+/m1/s1
InChIKeyOHRVTGGRAFBYNX-ZGVOOZQTSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1C2CC3C1C3C2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rutaceae  Atalantia  Atalantia buxifolia Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsSantalane sesquiterpenoids

Molecular Properties

Total atom number40
Heavy atom number16
Bond count18
Number of carbons15
Minimal number of rings3
Maximal number of rings7

Molecular Descriptors

NP-likeness score 1.41
Alogp2.71
Alogp27.36
Apol 43.205
Bpol 26.237
EccentricConnectivityIndexDescriptor 216
FmfDescriptor 0.4375
Fsp3 0.8667
FragmentComplexityDescriptor 1524.01
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 1
WienerPathNumber431
Xlogp 5.041
ZagrebIndex 100
TopoPSA 20.23