Q82265929

[object Object]
Name(1s,5r,6r)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
WikidataQ82265929
Mol. formulaC10H16O
CAS registry number-
Mol. weight152.2338

Representations

Temporary LOTUS idLTS0084441
Name(1s,5r,6r)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
Canonical SMILESCC1=CC[C@H]2[C@@H](O)[C@@H]1C2(C)C
2D SMILESCC1=CCC2C(O)C1C2(C)C
IUPAC name(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
InChIInChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyIRZWAJHUWGZMMT-DJLDLDEBSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=CC2CC(C1)C2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Tanacetum  Tanacetum vulgare Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Artemisia  Artemisia rutifolia Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Artemisia  Artemisia ludoviciana Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Tanacetum  Tanacetum parthenium Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsMonoterpenoidsPinane monoterpenoids

Molecular Properties

Total atom number27
Heavy atom number11
Bond count12
Number of carbons10
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp1.77
Alogp23.14
Apol 29.0707
Bpol 17.4913
EccentricConnectivityIndexDescriptor 81
FmfDescriptor 0.6364
Fsp3 0.8
FragmentComplexityDescriptor 674.01
PetitjeanNumber 0.25
LipinskiRuleOf5Failures 0
WienerPathNumber132
Xlogp 1.881
ZagrebIndex 64
TopoPSA 20.23