Q105183001

[object Object]
Name10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
WikidataQ105183001
Mol. formulaC17H28O3
CAS registry number-
Mol. weight280.4031

Representations

Temporary LOTUS idLTS0224827
Name10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
Canonical SMILESC=CC(C)(O)CCC=C(C)CC(C=C(C)C)OC(C)=O
2D SMILESC=CC(C)(O)CCC=C(C)CC(C=C(C)C)OC(C)=O
IUPAC name10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
InChIInChI=1S/C17H28O3/c1-7-17(6,19)10-8-9-14(4)12-16(11-13(2)3)20-15(5)18/h7,9,11,16,19H,1,8,10,12H2,2-6H3
InChIKeyNPEPFIZZFKCFTL-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Solanaceae  Phrodus  Phrodus bridgesii Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsFarnesane sesquiterpenoids

Molecular Properties

Total atom number48
Heavy atom number20
Bond count19
Number of carbons17
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1.33
Alogp3.84
Alogp214.74
Apol 50.9962
Bpol 33.4838
EccentricConnectivityIndexDescriptor 332
FmfDescriptor 0
Fsp3 0.5882
FragmentComplexityDescriptor 1829.03
PetitjeanNumber 0.4545
LipinskiRuleOf5Failures 0
WienerPathNumber963
Xlogp 3.211
ZagrebIndex 88
TopoPSA 46.53