Q67865665

[object Object]
Name(6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl acetate
WikidataQ67865665
Mol. formulaC17H28O2
CAS registry number-
Mol. weight264.4037

Representations

Temporary LOTUS idLTS0193692
Name(6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl acetate
Canonical SMILESC=CC(C)(CC/C=C(\C)CCC=C(C)C)OC(C)=O
2D SMILESC=CC(C)(CCC=C(C)CCC=C(C)C)OC(C)=O
IUPAC name(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl acetate
InChIInChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
InChIKeyPRNJXUQTUSFYLV-NTCAYCPXSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


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

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsFarnesane sesquiterpenoids

Molecular Properties

Total atom number47
Heavy atom number19
Bond count18
Number of carbons17
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1.11
Alogp4.94
Alogp224.41
Apol 50.1942
Bpol 33.4838
EccentricConnectivityIndexDescriptor 336
FmfDescriptor 0
Fsp3 0.5882
FragmentComplexityDescriptor 1774.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber880
Xlogp 5.03
ZagrebIndex 82
TopoPSA 26.3