[(Z)-hexadec-3-enyl] acetate

C18H34O2 — CID 6431470

IUPAC[(Z)-hexadec-3-enyl] acetate
SMILESCCCCCCCCCCCC/C=C\CCOC(C)=O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h14-15H,3-13,16-17H2,1-2H3/b15-14-
InChIKeyNJOIVGUNXAPULH-PFONDFGASA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds14

About [(Z)-hexadec-3-enyl] acetate

[(Z)-hexadec-3-enyl] acetate (PubChem CID 6431470) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is [(Z)-hexadec-3-enyl] acetate.

Molecular Properties

Compound Name[(Z)-hexadec-3-enyl] acetate
PubChem CID6431470
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name[(Z)-hexadec-3-enyl] acetate
SMILESCCCCCCCCCCCC/C=C\CCOC(C)=O
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h14-15H,3-13,16-17H2,1-2H3/b15-14-
InChIKeyNJOIVGUNXAPULH-PFONDFGASA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.81
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 [(Z)-hexadec-3-enyl] acetate?
The IUPAC name of [(Z)-hexadec-3-enyl] acetate (CID 6431470) is [(Z)-hexadec-3-enyl] acetate.
What is the SMILES notation for [(Z)-hexadec-3-enyl] acetate?
The canonical SMILES for [(Z)-hexadec-3-enyl] acetate is CCCCCCCCCCCC/C=C\CCOC(C)=O.
What is the InChIKey of [(Z)-hexadec-3-enyl] acetate?
The InChIKey is NJOIVGUNXAPULH-PFONDFGASA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h14-15H,3-13,16-17H2,1-2H3/b15-14-.
What are the key properties of [(Z)-hexadec-3-enyl] acetate?
[(Z)-hexadec-3-enyl] acetate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hexadec-3-enyl] acetate is sourced from PubChem (CID 6431470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).