2-nonylpentadecanoic acid

C24H48O2 — CID 139605044

IUPAC2-nonylpentadecanoic acid
SMILESCCCCCCCCCCCCCC(CCCCCCCCC)C(=O)O
InChIInChI=1S/C24H48O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-23(24(25)26)21-19-17-15-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
InChIKeyRMRIBGLKZLUHPR-UHFFFAOYSA-N
MW368.65 g/mol
LogP8.53
Rot. Bonds21

About 2-nonylpentadecanoic acid

2-nonylpentadecanoic acid (PubChem CID 139605044) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-nonylpentadecanoic acid.

Molecular Properties

Compound Name2-nonylpentadecanoic acid
PubChem CID139605044
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name2-nonylpentadecanoic acid
SMILESCCCCCCCCCCCCCC(CCCCCCCCC)C(=O)O
InChIInChI=1S/C24H48O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-23(24(25)26)21-19-17-15-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
InChIKeyRMRIBGLKZLUHPR-UHFFFAOYSA-N
XLogP8.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 58.53
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-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
2-undecyltridecanoic acid;hydrate
CID 162315261
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-nonylpentadecanoic acid?
The IUPAC name of 2-nonylpentadecanoic acid (CID 139605044) is 2-nonylpentadecanoic acid.
What is the SMILES notation for 2-nonylpentadecanoic acid?
The canonical SMILES for 2-nonylpentadecanoic acid is CCCCCCCCCCCCCC(CCCCCCCCC)C(=O)O.
What is the InChIKey of 2-nonylpentadecanoic acid?
The InChIKey is RMRIBGLKZLUHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-23(24(25)26)21-19-17-15-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26).
What are the key properties of 2-nonylpentadecanoic acid?
2-nonylpentadecanoic acid has a molecular weight of 368.65 g/mol, XLogP of 8.53, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylpentadecanoic acid is sourced from PubChem (CID 139605044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).