2-hexylnonanoic acid

C15H30O2 — CID 18521424

IUPAC2-hexylnonanoic acid
SMILESCCCCCCCC(CCCCCC)C(=O)O
InChIInChI=1S/C15H30O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyFYSUCIRARGQXCJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP5.02
Rot. Bonds12

About 2-hexylnonanoic acid

2-hexylnonanoic acid (PubChem CID 18521424) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-hexylnonanoic acid.

Molecular Properties

Compound Name2-hexylnonanoic acid
PubChem CID18521424
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-hexylnonanoic acid
SMILESCCCCCCCC(CCCCCC)C(=O)O
InChIInChI=1S/C15H30O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyFYSUCIRARGQXCJ-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'}

Analyze 2-hexylnonanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-nonylpentadecanoic acid
CID 139605044
(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-undecyltridecanoic acid;hydrate
CID 162315261
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-hexylnonanoic acid?
The IUPAC name of 2-hexylnonanoic acid (CID 18521424) is 2-hexylnonanoic acid.
What is the SMILES notation for 2-hexylnonanoic acid?
The canonical SMILES for 2-hexylnonanoic acid is CCCCCCCC(CCCCCC)C(=O)O.
What is the InChIKey of 2-hexylnonanoic acid?
The InChIKey is FYSUCIRARGQXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-5-7-9-11-13-14(15(16)17)12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,16,17).
What are the key properties of 2-hexylnonanoic acid?
2-hexylnonanoic 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 2-hexylnonanoic acid is sourced from PubChem (CID 18521424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).