Q105290075

[object Object]
Name3-isopropyl-6-methyl-7-methylidenetricyclo[4.4.0.0²,⁸]decane
WikidataQ105290075
Mol. formulaC15H24
CAS registry number-
Mol. weight204.3516

Representations

Temporary LOTUS idLTS0229393
Name3-isopropyl-6-methyl-7-methylidenetricyclo[4.4.0.0²,⁸]decane
Canonical SMILESC=C1C2CCC3C2C(C(C)C)CCC13C
2D SMILESC=C1C2CCC3C2C(C(C)C)CCC13C
IUPAC name6-methyl-7-methylidene-3-(propan-2-yl)tricyclo[4.4.0.0²,⁸]decane
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3
InChIKeyVOBBUADSYROGAT-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1CC2CC3CCC2C3C1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lepidoziaceae  Lepidozia  Lepidozia fauriana Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Pinaceae  Abies  Abies magnifica Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsCopacamphane sesquiterpenoids

Molecular Properties

Total atom number39
Heavy atom number15
Bond count17
Number of carbons15
Minimal number of rings3
Maximal number of rings7

Molecular Descriptors

NP-likeness score 1
Alogp4.22
Alogp217.83
Apol 42.403
Bpol 26.237
EccentricConnectivityIndexDescriptor 155
FmfDescriptor 0.6667
Fsp3 0.8667
FragmentComplexityDescriptor 1471
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber303
Xlogp 6.346
ZagrebIndex 90
TopoPSA 0