[(3Z,14Z)-octadeca-3,14-dienyl] acetate

C20H36O2 — CID 5363264

IUPAC[(3Z,14Z)-octadeca-3,14-dienyl] acetate
SMILESCCC/C=C\CCCCCCCCC/C=C\CCOC(C)=O
InChIInChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h5-6,16-17H,3-4,7-15,18-19H2,1-2H3/b6-5-,17-16-
InChIKeyGBVHUOPFRPGFOE-RACUUBEBSA-N
MW308.51 g/mol
LogP6.36
Rot. Bonds15

About [(3Z,14Z)-octadeca-3,14-dienyl] acetate

[(3Z,14Z)-octadeca-3,14-dienyl] acetate (PubChem CID 5363264) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is [(3Z,14Z)-octadeca-3,14-dienyl] acetate.

Molecular Properties

Compound Name[(3Z,14Z)-octadeca-3,14-dienyl] acetate
PubChem CID5363264
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name[(3Z,14Z)-octadeca-3,14-dienyl] acetate
SMILESCCC/C=C\CCCCCCCCC/C=C\CCOC(C)=O
InChIInChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h5-6,16-17H,3-4,7-15,18-19H2,1-2H3/b6-5-,17-16-
InChIKeyGBVHUOPFRPGFOE-RACUUBEBSA-N
XLogP6.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(8Z)-tetradeca-3,8-dienyl] acetate
CID 175829151
hexadec-8-enyl acetate
CID 538136
[(Z)-tridec-8-enyl] acetate
CID 10014538
octadec-8-enyl acetate
CID 538134
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
20-acetyloxyicos-11-enyl acetate
CID 537116
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567

Frequently Asked Questions

What is the IUPAC name of [(3Z,14Z)-octadeca-3,14-dienyl] acetate?
The IUPAC name of [(3Z,14Z)-octadeca-3,14-dienyl] acetate (CID 5363264) is [(3Z,14Z)-octadeca-3,14-dienyl] acetate.
What is the SMILES notation for [(3Z,14Z)-octadeca-3,14-dienyl] acetate?
The canonical SMILES for [(3Z,14Z)-octadeca-3,14-dienyl] acetate is CCC/C=C\CCCCCCCCC/C=C\CCOC(C)=O.
What is the InChIKey of [(3Z,14Z)-octadeca-3,14-dienyl] acetate?
The InChIKey is GBVHUOPFRPGFOE-RACUUBEBSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h5-6,16-17H,3-4,7-15,18-19H2,1-2H3/b6-5-,17-16-.
What are the key properties of [(3Z,14Z)-octadeca-3,14-dienyl] acetate?
[(3Z,14Z)-octadeca-3,14-dienyl] acetate has a molecular weight of 308.51 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,14Z)-octadeca-3,14-dienyl] acetate is sourced from PubChem (CID 5363264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).