2-hexyl-2-methyldecanoic acid

C17H34O2 — CID 86051716

IUPAC2-hexyl-2-methyldecanoic acid
SMILESCCCCCCCCC(C)(CCCCCC)C(=O)O
InChIInChI=1S/C17H34O2/c1-4-6-8-10-11-13-15-17(3,16(18)19)14-12-9-7-5-2/h4-15H2,1-3H3,(H,18,19)
InChIKeyKPQOARBWTILHSS-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.80
Rot. Bonds13

About 2-hexyl-2-methyldecanoic acid

2-hexyl-2-methyldecanoic acid (PubChem CID 86051716) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-hexyl-2-methyldecanoic acid.

Molecular Properties

Compound Name2-hexyl-2-methyldecanoic acid
PubChem CID86051716
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-hexyl-2-methyldecanoic acid
SMILESCCCCCCCCC(C)(CCCCCC)C(=O)O
InChIInChI=1S/C17H34O2/c1-4-6-8-10-11-13-15-17(3,16(18)19)14-12-9-7-5-2/h4-15H2,1-3H3,(H,18,19)
InChIKeyKPQOARBWTILHSS-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexyl-2-methyldecanoic 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-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
2-butyl-2-methylhexanoic acid
CID 15930803
2-(8-fluorooctyl)-2-methylpentadecanoic acid
CID 175368880
2-hexyl-2-methyldodecanedioic acid
CID 90370691
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
(Z)-2-methyl-2-propyloctadec-9-enoic acid
CID 160795376
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-methyl-2-propylnonanedioic acid
CID 160508376
2-methyl-2-(2-octyldodecyl)octadecanoic acid
CID 170305076

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methyldecanoic acid?
The IUPAC name of 2-hexyl-2-methyldecanoic acid (CID 86051716) is 2-hexyl-2-methyldecanoic acid.
What is the SMILES notation for 2-hexyl-2-methyldecanoic acid?
The canonical SMILES for 2-hexyl-2-methyldecanoic acid is CCCCCCCCC(C)(CCCCCC)C(=O)O.
What is the InChIKey of 2-hexyl-2-methyldecanoic acid?
The InChIKey is KPQOARBWTILHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-6-8-10-11-13-15-17(3,16(18)19)14-12-9-7-5-2/h4-15H2,1-3H3,(H,18,19).
What are the key properties of 2-hexyl-2-methyldecanoic acid?
2-hexyl-2-methyldecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.80, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyldecanoic acid is sourced from PubChem (CID 86051716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).