2-butyl-18-methylnonadecanoic acid

C24H48O2 — CID 22376972

IUPAC2-butyl-18-methylnonadecanoic acid
SMILESCCCCC(CCCCCCCCCCCCCCCC(C)C)C(=O)O
InChIInChI=1S/C24H48O2/c1-4-5-20-23(24(25)26)21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22(2)3/h22-23H,4-21H2,1-3H3,(H,25,26)
InChIKeyVJJIUWMBUYBNRB-UHFFFAOYSA-N
MW368.65 g/mol
LogP8.38
Rot. Bonds20

About 2-butyl-18-methylnonadecanoic acid

2-butyl-18-methylnonadecanoic acid (PubChem CID 22376972) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-butyl-18-methylnonadecanoic acid.

Molecular Properties

Compound Name2-butyl-18-methylnonadecanoic acid
PubChem CID22376972
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name2-butyl-18-methylnonadecanoic acid
SMILESCCCCC(CCCCCCCCCCCCCCCC(C)C)C(=O)O
InChIInChI=1S/C24H48O2/c1-4-5-20-23(24(25)26)21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22(2)3/h22-23H,4-21H2,1-3H3,(H,25,26)
InChIKeyVJJIUWMBUYBNRB-UHFFFAOYSA-N
XLogP8.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 58.38
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

2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
(2S)-2-butyldecanoic acid
CID 98176194
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecyloctacosanoic acid
CID 90897371

Frequently Asked Questions

What is the IUPAC name of 2-butyl-18-methylnonadecanoic acid?
The IUPAC name of 2-butyl-18-methylnonadecanoic acid (CID 22376972) is 2-butyl-18-methylnonadecanoic acid.
What is the SMILES notation for 2-butyl-18-methylnonadecanoic acid?
The canonical SMILES for 2-butyl-18-methylnonadecanoic acid is CCCCC(CCCCCCCCCCCCCCCC(C)C)C(=O)O.
What is the InChIKey of 2-butyl-18-methylnonadecanoic acid?
The InChIKey is VJJIUWMBUYBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-4-5-20-23(24(25)26)21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-22(2)3/h22-23H,4-21H2,1-3H3,(H,25,26).
What are the key properties of 2-butyl-18-methylnonadecanoic acid?
2-butyl-18-methylnonadecanoic acid has a molecular weight of 368.65 g/mol, XLogP of 8.38, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-18-methylnonadecanoic acid is sourced from PubChem (CID 22376972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).