methyl 14-methylpentadecanoate

C17H34O2 — CID 21205

IUPACmethyl 14-methylpentadecanoate
SMILESCOC(=O)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChIKeyWAKCWJNDXBPEBP-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.50
Rot. Bonds13

About methyl 14-methylpentadecanoate

methyl 14-methylpentadecanoate (PubChem CID 21205) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is methyl 14-methylpentadecanoate.

Molecular Properties

Compound Namemethyl 14-methylpentadecanoate
PubChem CID21205
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namemethyl 14-methylpentadecanoate
SMILESCOC(=O)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChIKeyWAKCWJNDXBPEBP-UHFFFAOYSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 14-methylpentadecanoate 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 methyl 14-methylpentadecanoate?
The IUPAC name of methyl 14-methylpentadecanoate (CID 21205) is methyl 14-methylpentadecanoate.
What is the SMILES notation for methyl 14-methylpentadecanoate?
The canonical SMILES for methyl 14-methylpentadecanoate is COC(=O)CCCCCCCCCCCCC(C)C.
What is the InChIKey of methyl 14-methylpentadecanoate?
The InChIKey is WAKCWJNDXBPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3.
What are the key properties of methyl 14-methylpentadecanoate?
methyl 14-methylpentadecanoate has a molecular weight of 270.46 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-methylpentadecanoate is sourced from PubChem (CID 21205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).