[(4Z,16Z)-octadeca-4,16-dienyl] acetate

C20H36O2 — CID 5364627

IUPAC[(4Z,16Z)-octadeca-4,16-dienyl] acetate
SMILESC/C=C\CCCCCCCCCC/C=C\CCCOC(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/h3-4,15-16H,5-14,17-19H2,1-2H3/b4-3-,16-15-
InChIKeyFKNXHPFWVGMRFH-PRVNTLPRSA-N
MW308.51 g/mol
LogP6.36
Rot. Bonds15

About [(4Z,16Z)-octadeca-4,16-dienyl] acetate

[(4Z,16Z)-octadeca-4,16-dienyl] acetate (PubChem CID 5364627) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is [(4Z,16Z)-octadeca-4,16-dienyl] acetate.

Molecular Properties

Compound Name[(4Z,16Z)-octadeca-4,16-dienyl] acetate
PubChem CID5364627
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name[(4Z,16Z)-octadeca-4,16-dienyl] acetate
SMILESC/C=C\CCCCCCCCCC/C=C\CCCOC(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/h3-4,15-16H,5-14,17-19H2,1-2H3/b4-3-,16-15-
InChIKeyFKNXHPFWVGMRFH-PRVNTLPRSA-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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Frequently Asked Questions

What is the IUPAC name of [(4Z,16Z)-octadeca-4,16-dienyl] acetate?
The IUPAC name of [(4Z,16Z)-octadeca-4,16-dienyl] acetate (CID 5364627) is [(4Z,16Z)-octadeca-4,16-dienyl] acetate.
What is the SMILES notation for [(4Z,16Z)-octadeca-4,16-dienyl] acetate?
The canonical SMILES for [(4Z,16Z)-octadeca-4,16-dienyl] acetate is C/C=C\CCCCCCCCCC/C=C\CCCOC(C)=O.
What is the InChIKey of [(4Z,16Z)-octadeca-4,16-dienyl] acetate?
The InChIKey is FKNXHPFWVGMRFH-PRVNTLPRSA-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/h3-4,15-16H,5-14,17-19H2,1-2H3/b4-3-,16-15-.
What are the key properties of [(4Z,16Z)-octadeca-4,16-dienyl] acetate?
[(4Z,16Z)-octadeca-4,16-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 [(4Z,16Z)-octadeca-4,16-dienyl] acetate is sourced from PubChem (CID 5364627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).