14-methylhexadecanoic acid

C17H34O2 — CID 22207

IUPAC14-methylhexadecanoic acid
SMILESCCC(C)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyFXUKWLSZZHVEJD-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.80
Rot. Bonds14

About 14-methylhexadecanoic acid

14-methylhexadecanoic acid (PubChem CID 22207) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 14-methylhexadecanoic acid.

Molecular Properties

Compound Name14-methylhexadecanoic acid
PubChem CID22207
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name14-methylhexadecanoic acid
SMILESCCC(C)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyFXUKWLSZZHVEJD-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 14-methylhexadecanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-methylhexadecanoic acid?
The IUPAC name of 14-methylhexadecanoic acid (CID 22207) is 14-methylhexadecanoic acid.
What is the SMILES notation for 14-methylhexadecanoic acid?
The canonical SMILES for 14-methylhexadecanoic acid is CCC(C)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-methylhexadecanoic acid?
The InChIKey is FXUKWLSZZHVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19).
What are the key properties of 14-methylhexadecanoic acid?
14-methylhexadecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylhexadecanoic acid is sourced from PubChem (CID 22207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).