Q105247062

[object Object]
Name(1s,2r,5s,7s)-2,6,6,8-tetramethyltricyclo[5.2.2.0¹,⁵]undec-8-ene
WikidataQ105247062
Mol. formulaC15H24
CAS registry number-
Mol. weight204.3516

Representations

Temporary LOTUS idLTS0224374
Name(1s,2r,5s,7s)-2,6,6,8-tetramethyltricyclo[5.2.2.0¹,⁵]undec-8-ene
Canonical SMILESCC1=C[C@@]23CC[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
2D SMILESCC1=CC23CCC1C(C)(C)C2CCC3C
IUPAC name(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.2.2.0¹,⁵]undec-8-ene
InChIInChI=1S/C15H24/c1-10-9-15-8-7-12(10)14(3,4)13(15)6-5-11(15)2/h9,11-13H,5-8H2,1-4H3/t11-,12+,13+,15-/m1/s1
InChIKeyRXIZECQHNGXURN-UKTARXLSSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1=CC23CCCC3CC1CC2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Juniperus  Juniperus thurifera Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Juniperus  Juniperus thurifera Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cupressaceae  Juniperus  Juniperus thurifera Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsPatchoulane sesquiterpenoids

Molecular Properties

Total atom number39
Heavy atom number15
Bond count17
Number of carbons15
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1
Alogp4.12
Alogp217
Apol 42.403
Bpol 26.237
EccentricConnectivityIndexDescriptor 143
FmfDescriptor 0.7333
Fsp3 0.8667
FragmentComplexityDescriptor 1471
PetitjeanNumber 0.4
LipinskiRuleOf5Failures 1
WienerPathNumber286
Xlogp 6.399
ZagrebIndex 92
TopoPSA 0