[(10Z,14Z)-hexadeca-10,14-dienyl] acetate

C18H32O2 — CID 102055670

IUPAC[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
SMILESC/C=C\CC/C=C\CCCCCCCCCOC(C)=O
InChIInChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-4,7-8H,5-6,9-17H2,1-2H3/b4-3-,8-7-
InChIKeyKWPBTHQRJMWHBZ-KPDBFRNYSA-N
MW280.45 g/mol
LogP5.58
Rot. Bonds13

About [(10Z,14Z)-hexadeca-10,14-dienyl] acetate

[(10Z,14Z)-hexadeca-10,14-dienyl] acetate (PubChem CID 102055670) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is [(10Z,14Z)-hexadeca-10,14-dienyl] acetate.

Molecular Properties

Compound Name[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
PubChem CID102055670
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
SMILESC/C=C\CC/C=C\CCCCCCCCCOC(C)=O
InChIInChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-4,7-8H,5-6,9-17H2,1-2H3/b4-3-,8-7-
InChIKeyKWPBTHQRJMWHBZ-KPDBFRNYSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.58
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

tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
dec-8-enyl acetate
CID 73186998
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
octadec-8-enyl acetate
CID 538134
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
[(Z)-octadec-13-enyl] acetate
CID 5363293

Frequently Asked Questions

What is the IUPAC name of [(10Z,14Z)-hexadeca-10,14-dienyl] acetate?
The IUPAC name of [(10Z,14Z)-hexadeca-10,14-dienyl] acetate (CID 102055670) is [(10Z,14Z)-hexadeca-10,14-dienyl] acetate.
What is the SMILES notation for [(10Z,14Z)-hexadeca-10,14-dienyl] acetate?
The canonical SMILES for [(10Z,14Z)-hexadeca-10,14-dienyl] acetate is C/C=C\CC/C=C\CCCCCCCCCOC(C)=O.
What is the InChIKey of [(10Z,14Z)-hexadeca-10,14-dienyl] acetate?
The InChIKey is KWPBTHQRJMWHBZ-KPDBFRNYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-4,7-8H,5-6,9-17H2,1-2H3/b4-3-,8-7-.
What are the key properties of [(10Z,14Z)-hexadeca-10,14-dienyl] acetate?
[(10Z,14Z)-hexadeca-10,14-dienyl] acetate has a molecular weight of 280.45 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(10Z,14Z)-hexadeca-10,14-dienyl] acetate is sourced from PubChem (CID 102055670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).