4-methyltetradecanoic acid

C15H30O2 — CID 23454322

IUPAC4-methyltetradecanoic acid
SMILESCCCCCCCCCCC(C)CCC(=O)O
InChIInChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyNFOBWBPFHRTVJQ-UHFFFAOYSA-N
MW242.40 g/mol
LogP5.02
Rot. Bonds12

About 4-methyltetradecanoic acid

4-methyltetradecanoic acid (PubChem CID 23454322) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-methyltetradecanoic acid.

Molecular Properties

Compound Name4-methyltetradecanoic acid
PubChem CID23454322
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-methyltetradecanoic acid
SMILESCCCCCCCCCCC(C)CCC(=O)O
InChIInChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyNFOBWBPFHRTVJQ-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.40
LogP ≤ 55.02
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

4,8,12-trimethylnonadecanoic acid
CID 141295751
4-methyloctanoic acid;nonanoic acid
CID 161166549
(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
9-methylpentadecanoic acid
CID 22251894
(10R)-10-methylheptadecanoic acid
CID 124527302
9-methylhexadecanoic acid
CID 5312299
ethane;4-methyloctanoic acid
CID 171811977

Frequently Asked Questions

What is the IUPAC name of 4-methyltetradecanoic acid?
The IUPAC name of 4-methyltetradecanoic acid (CID 23454322) is 4-methyltetradecanoic acid.
What is the SMILES notation for 4-methyltetradecanoic acid?
The canonical SMILES for 4-methyltetradecanoic acid is CCCCCCCCCCC(C)CCC(=O)O.
What is the InChIKey of 4-methyltetradecanoic acid?
The InChIKey is NFOBWBPFHRTVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17).
What are the key properties of 4-methyltetradecanoic acid?
4-methyltetradecanoic acid has a molecular weight of 242.40 g/mol, XLogP of 5.02, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltetradecanoic acid is sourced from PubChem (CID 23454322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).