3,3,16,16-tetramethyloctadecanedioic acid

C22H42O4 — CID 11523584

IUPAC3,3,16,16-tetramethyloctadecanedioic acid
SMILESCC(C)(CCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C22H42O4/c1-21(2,17-19(23)24)15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)18-20(25)26/h5-18H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyALPCCMYAJZAWAO-UHFFFAOYSA-N
MW370.57 g/mol
LogP6.67
Rot. Bonds17

About 3,3,16,16-tetramethyloctadecanedioic acid

3,3,16,16-tetramethyloctadecanedioic acid (PubChem CID 11523584) has the molecular formula C22H42O4 and a molecular weight of 370.57 g/mol. Its IUPAC name is 3,3,16,16-tetramethyloctadecanedioic acid.

Molecular Properties

Compound Name3,3,16,16-tetramethyloctadecanedioic acid
PubChem CID11523584
Molecular FormulaC22H42O4
Molecular Weight370.57 g/mol
Exact Mass370.31
IUPAC Name3,3,16,16-tetramethyloctadecanedioic acid
SMILESCC(C)(CCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C22H42O4/c1-21(2,17-19(23)24)15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)18-20(25)26/h5-18H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyALPCCMYAJZAWAO-UHFFFAOYSA-N
XLogP6.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,16,16-tetramethyloctadecanedioic 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 3,3,16,16-tetramethyloctadecanedioic acid?
The IUPAC name of 3,3,16,16-tetramethyloctadecanedioic acid (CID 11523584) is 3,3,16,16-tetramethyloctadecanedioic acid.
What is the SMILES notation for 3,3,16,16-tetramethyloctadecanedioic acid?
The canonical SMILES for 3,3,16,16-tetramethyloctadecanedioic acid is CC(C)(CCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O.
What is the InChIKey of 3,3,16,16-tetramethyloctadecanedioic acid?
The InChIKey is ALPCCMYAJZAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4/c1-21(2,17-19(23)24)15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)18-20(25)26/h5-18H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 3,3,16,16-tetramethyloctadecanedioic acid?
3,3,16,16-tetramethyloctadecanedioic acid has a molecular weight of 370.57 g/mol, XLogP of 6.67, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,16,16-tetramethyloctadecanedioic acid is sourced from PubChem (CID 11523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).