9-methylpentadecanoic acid

C16H32O2 — CID 22251894

IUPAC9-methylpentadecanoic acid
SMILESCCCCCCC(C)CCCCCCCC(=O)O
InChIInChI=1S/C16H32O2/c1-3-4-5-9-12-15(2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKeyFOWGOARAZOFDFX-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.41
Rot. Bonds13

About 9-methylpentadecanoic acid

9-methylpentadecanoic acid (PubChem CID 22251894) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 9-methylpentadecanoic acid.

Molecular Properties

Compound Name9-methylpentadecanoic acid
PubChem CID22251894
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name9-methylpentadecanoic acid
SMILESCCCCCCC(C)CCCCCCCC(=O)O
InChIInChI=1S/C16H32O2/c1-3-4-5-9-12-15(2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKeyFOWGOARAZOFDFX-UHFFFAOYSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(11S)-11-methylhexadecanoic acid
CID 162980930
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(6S)-6-methyltetradecanoic acid
CID 95858653
12-methylicosanoic acid
CID 15736271
(10R)-10-methylheptadecanoic acid
CID 124527302
9-methylhexadecanoic acid
CID 5312299
ethane-1,2-diol;12-methyloctadecanoic acid
CID 174615141
8-hydroxypentadecanoic acid;11-methylhenicosane
CID 175544525
4-methyloctanoic acid;nonanoic acid
CID 161166549
4-methyltetradecanoic acid
CID 23454322

Frequently Asked Questions

What is the IUPAC name of 9-methylpentadecanoic acid?
The IUPAC name of 9-methylpentadecanoic acid (CID 22251894) is 9-methylpentadecanoic acid.
What is the SMILES notation for 9-methylpentadecanoic acid?
The canonical SMILES for 9-methylpentadecanoic acid is CCCCCCC(C)CCCCCCCC(=O)O.
What is the InChIKey of 9-methylpentadecanoic acid?
The InChIKey is FOWGOARAZOFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-9-12-15(2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18).
What are the key properties of 9-methylpentadecanoic acid?
9-methylpentadecanoic acid has a molecular weight of 256.43 g/mol, XLogP of 5.41, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylpentadecanoic acid is sourced from PubChem (CID 22251894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).