Q27265064

[object Object]
Name(2e,6z)-farnesyl acetate
WikidataQ27265064
Mol. formulaC17H28O2
CAS registry number-
Mol. weight264.4037

Representations

Temporary LOTUS idLTS0136484
Name(2e,6z)-farnesyl acetate
Canonical SMILESCC(=O)OC/C=C(/C)CC/C=C(/C)CCC=C(C)C
2D SMILESCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
IUPAC name(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
InChIInChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10-,16-12-
InChIKeyZGIGZINMAOQWLX-CYRKZOTCSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Rubiaceae  Carapichea  Carapichea ipecacuanha Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acids|Fatty acidsFatty esters|SesquiterpenoidsFarnesane sesquiterpenoids|Acyclic monoterpenoids

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 1.01
Alogp5.14
Alogp226.42
Apol 50.1942
Bpol 33.4838
EccentricConnectivityIndexDescriptor 386
FmfDescriptor 0
Fsp3 0.5882
FragmentComplexityDescriptor 1774.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 1
WienerPathNumber976
Xlogp 5.086
ZagrebIndex 78
TopoPSA 26.3