Farnesyl acetate, (2E,6Z)-

C17H28O2 — CID 1551481

IUPAC[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate
SMILESCC(=CCC/C(=C\CC/C(=C/COC(=O)C)/C)/C)C
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-RWIOWDNPSA-N
MW264.40 g/mol
LogP5.30
Rot. Bonds9

About Farnesyl acetate, (2E,6Z)-

Farnesyl acetate, (2E,6Z)- (PubChem CID 1551481) has the molecular formula C17H28O2 and a molecular weight of 264.40 g/mol. Its IUPAC name is [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate.

Molecular Properties

Compound NameFarnesyl acetate, (2E,6Z)-
PubChem CID1551481
Molecular FormulaC17H28O2
Molecular Weight264.40 g/mol
Exact Mass264.21
IUPAC Name[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate
SMILESCC(=CCC/C(=C\CC/C(=C/COC(=O)C)/C)/C)C
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-RWIOWDNPSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity355

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geranyl Acetate
CID 1549026
Gefarnate
CID 5282182
Methyl geranate
CID 5365910
Geranyl tiglate
CID 5367785
2-Hexenyl acetate, (2E)-
CID 2733294
Neryl formate
CID 5354882
Ethyl (E)-2-heptenoate
CID 5358363
Neryl acetate
CID 1549025
Geranyl formate
CID 5282109
Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
2-Hexenyl propionate, (2E)-
CID 5352463

Frequently Asked Questions

What is the IUPAC name of Farnesyl acetate, (2E,6Z)-?
The IUPAC name of Farnesyl acetate, (2E,6Z)- (CID 1551481) is [(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate.
What is the SMILES notation for Farnesyl acetate, (2E,6Z)-?
The canonical SMILES for Farnesyl acetate, (2E,6Z)- is CC(=CCC/C(=C\CC/C(=C/COC(=O)C)/C)/C)C.
What is the InChIKey of Farnesyl acetate, (2E,6Z)-?
The InChIKey is ZGIGZINMAOQWLX-RWIOWDNPSA-N. The full InChI is InChI=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+.
What are the key properties of Farnesyl acetate, (2E,6Z)-?
Farnesyl acetate, (2E,6Z)- has a molecular weight of 264.40 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Farnesyl acetate, (2E,6Z)- is sourced from PubChem (CID 1551481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).