2,2-dimethyldocosanoic acid

C24H48O2 — CID 23471202

IUPAC2,2-dimethyldocosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC(C)(C)C(=O)O
InChIInChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2,3)23(25)26/h4-22H2,1-3H3,(H,25,26)
InChIKeyLFJMBYLSEKEPRK-UHFFFAOYSA-N
MW368.65 g/mol
LogP8.53
Rot. Bonds20

About 2,2-dimethyldocosanoic acid

2,2-dimethyldocosanoic acid (PubChem CID 23471202) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2,2-dimethyldocosanoic acid.

Molecular Properties

Compound Name2,2-dimethyldocosanoic acid
PubChem CID23471202
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name2,2-dimethyldocosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC(C)(C)C(=O)O
InChIInChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2,3)23(25)26/h4-22H2,1-3H3,(H,25,26)
InChIKeyLFJMBYLSEKEPRK-UHFFFAOYSA-N
XLogP8.53
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 ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyldocosanoic 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

tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
CID 175725227
2,2-dimethyldecanamide
CID 22596903
2,2-dimethylhexadecanamide
CID 23297438
2-heptyl-2-methylpropanedioic acid
CID 89147986

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldocosanoic acid?
The IUPAC name of 2,2-dimethyldocosanoic acid (CID 23471202) is 2,2-dimethyldocosanoic acid.
What is the SMILES notation for 2,2-dimethyldocosanoic acid?
The canonical SMILES for 2,2-dimethyldocosanoic acid is CCCCCCCCCCCCCCCCCCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyldocosanoic acid?
The InChIKey is LFJMBYLSEKEPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2,3)23(25)26/h4-22H2,1-3H3,(H,25,26).
What are the key properties of 2,2-dimethyldocosanoic acid?
2,2-dimethyldocosanoic acid has a molecular weight of 368.65 g/mol, XLogP of 8.53, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldocosanoic acid is sourced from PubChem (CID 23471202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).