Q104975044

[object Object]
Name8-isopropyl-1,5-dimethylazulene
WikidataQ104975044
Mol. formulaC15H18
CAS registry number-
Mol. weight198.304

Representations

Temporary LOTUS idLTS0240230
Name8-isopropyl-1,5-dimethylazulene
Canonical SMILESCc1ccc(C(C)C)c2c(C)ccc-2c1
2D SMILESCc1ccc(C(C)C)c2c(C)ccc-2c1
IUPAC name1,5-dimethyl-8-(propan-2-yl)azulene
InChIInChI=1S/C15H18/c1-10(2)14-8-5-11(3)9-13-7-6-12(4)15(13)14/h5-10H,1-4H3
InChIKeyDBZHHRPNWDNKNX-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc-2cccc2cc1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Achillea  Achillea alpina Wikidata logo
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Achillea  Achillea sibirica Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsGuaiane sesquiterpenoids

Molecular Properties

Total atom number33
Heavy atom number15
Bond count16
Number of carbons15
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp4.91
Alogp224.06
Apol 38.4023
Bpol 19.6777
EccentricConnectivityIndexDescriptor 153
FmfDescriptor 0.6667
Fsp3 0.3333
FragmentComplexityDescriptor 946
PetitjeanNumber 0.3333
LipinskiRuleOf5Failures 1
WienerPathNumber323
Xlogp 5.552
ZagrebIndex 78
TopoPSA 0