3,3,18,18-tetramethylicosanedioic acid

C24H46O4 — CID 14614316

IUPAC3,3,18,18-tetramethylicosanedioic acid
SMILESCC(C)(CCCCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C24H46O4/c1-23(2,19-21(25)26)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)20-22(27)28/h5-20H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyRQKGSIGQBVSOAD-UHFFFAOYSA-N
MW398.63 g/mol
LogP7.45
Rot. Bonds19

About 3,3,18,18-tetramethylicosanedioic acid

3,3,18,18-tetramethylicosanedioic acid (PubChem CID 14614316) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is 3,3,18,18-tetramethylicosanedioic acid.

Molecular Properties

Compound Name3,3,18,18-tetramethylicosanedioic acid
PubChem CID14614316
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Name3,3,18,18-tetramethylicosanedioic acid
SMILESCC(C)(CCCCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C24H46O4/c1-23(2,19-21(25)26)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)20-22(27)28/h5-20H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyRQKGSIGQBVSOAD-UHFFFAOYSA-N
XLogP7.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,18,18-tetramethylicosanedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,18,18-tetramethylicosanedioic acid?
The IUPAC name of 3,3,18,18-tetramethylicosanedioic acid (CID 14614316) is 3,3,18,18-tetramethylicosanedioic acid.
What is the SMILES notation for 3,3,18,18-tetramethylicosanedioic acid?
The canonical SMILES for 3,3,18,18-tetramethylicosanedioic acid is CC(C)(CCCCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O.
What is the InChIKey of 3,3,18,18-tetramethylicosanedioic acid?
The InChIKey is RQKGSIGQBVSOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4/c1-23(2,19-21(25)26)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)20-22(27)28/h5-20H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 3,3,18,18-tetramethylicosanedioic acid?
3,3,18,18-tetramethylicosanedioic acid has a molecular weight of 398.63 g/mol, XLogP of 7.45, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,18,18-tetramethylicosanedioic acid is sourced from PubChem (CID 14614316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).