[(Z)-octadec-9-enyl] acetate

C20H38O2 — CID 5363289

IUPAC[(Z)-octadec-9-enyl] acetate
SMILESCCCCCCCC/C=C\CCCCCCCCOC(C)=O
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyGYGAZRPDUOHMAF-KHPPLWFESA-N
MW310.52 g/mol
LogP6.59
Rot. Bonds16

About [(Z)-octadec-9-enyl] acetate

[(Z)-octadec-9-enyl] acetate (PubChem CID 5363289) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is [(Z)-octadec-9-enyl] acetate.

Molecular Properties

Compound Name[(Z)-octadec-9-enyl] acetate
PubChem CID5363289
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name[(Z)-octadec-9-enyl] acetate
SMILESCCCCCCCC/C=C\CCCCCCCCOC(C)=O
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyGYGAZRPDUOHMAF-KHPPLWFESA-N
XLogP6.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.59
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)-octadec-9-enyl] acetate?
The IUPAC name of [(Z)-octadec-9-enyl] acetate (CID 5363289) is [(Z)-octadec-9-enyl] acetate.
What is the SMILES notation for [(Z)-octadec-9-enyl] acetate?
The canonical SMILES for [(Z)-octadec-9-enyl] acetate is CCCCCCCC/C=C\CCCCCCCCOC(C)=O.
What is the InChIKey of [(Z)-octadec-9-enyl] acetate?
The InChIKey is GYGAZRPDUOHMAF-KHPPLWFESA-N. The full InChI is InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-.
What are the key properties of [(Z)-octadec-9-enyl] acetate?
[(Z)-octadec-9-enyl] acetate has a molecular weight of 310.52 g/mol, XLogP of 6.59, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enyl] acetate is sourced from PubChem (CID 5363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).