pentadec-14-enyl acetate

C17H32O2 — CID 87443745

IUPACpentadec-14-enyl acetate
SMILESC=CCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3H,1,4-16H2,2H3
InChIKeyODSWPJZUZMVCQE-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds14

About pentadec-14-enyl acetate

pentadec-14-enyl acetate (PubChem CID 87443745) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is pentadec-14-enyl acetate.

Molecular Properties

Compound Namepentadec-14-enyl acetate
PubChem CID87443745
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namepentadec-14-enyl acetate
SMILESC=CCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3H,1,4-16H2,2H3
InChIKeyODSWPJZUZMVCQE-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
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'}

Analyze pentadec-14-enyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonadec-18-enyl acetate
CID 87443633
hex-5-enyl acetate
CID 537536
tetradeca-4,6,13-trienyl acetate
CID 162896966
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
11-acetyloxyundecyl acetate
CID 87784419
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
oct-7-enyl 2-methylpropanoate
CID 87633860
6-hydroxyiminohexyl acetate
CID 88608680
hexadec-15-enyl carbonochloridate
CID 139984771
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942

Frequently Asked Questions

What is the IUPAC name of pentadec-14-enyl acetate?
The IUPAC name of pentadec-14-enyl acetate (CID 87443745) is pentadec-14-enyl acetate.
What is the SMILES notation for pentadec-14-enyl acetate?
The canonical SMILES for pentadec-14-enyl acetate is C=CCCCCCCCCCCCCCOC(C)=O.
What is the InChIKey of pentadec-14-enyl acetate?
The InChIKey is ODSWPJZUZMVCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3H,1,4-16H2,2H3.
What are the key properties of pentadec-14-enyl acetate?
pentadec-14-enyl acetate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-14-enyl acetate is sourced from PubChem (CID 87443745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).