3,3,12,12-tetramethyltetradecanedioic acid

C18H34O4 — CID 14614313

IUPAC3,3,12,12-tetramethyltetradecanedioic acid
SMILESCC(C)(CCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C18H34O4/c1-17(2,13-15(19)20)11-9-7-5-6-8-10-12-18(3,4)14-16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22)
InChIKeySRJWQXGYTPCQBI-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.11
Rot. Bonds13

About 3,3,12,12-tetramethyltetradecanedioic acid

3,3,12,12-tetramethyltetradecanedioic acid (PubChem CID 14614313) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 3,3,12,12-tetramethyltetradecanedioic acid.

Molecular Properties

Compound Name3,3,12,12-tetramethyltetradecanedioic acid
PubChem CID14614313
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name3,3,12,12-tetramethyltetradecanedioic acid
SMILESCC(C)(CCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C18H34O4/c1-17(2,13-15(19)20)11-9-7-5-6-8-10-12-18(3,4)14-16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22)
InChIKeySRJWQXGYTPCQBI-UHFFFAOYSA-N
XLogP5.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,12,12-tetramethyltetradecanedioic 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 3,3,12,12-tetramethyltetradecanedioic acid?
The IUPAC name of 3,3,12,12-tetramethyltetradecanedioic acid (CID 14614313) is 3,3,12,12-tetramethyltetradecanedioic acid.
What is the SMILES notation for 3,3,12,12-tetramethyltetradecanedioic acid?
The canonical SMILES for 3,3,12,12-tetramethyltetradecanedioic acid is CC(C)(CCCCCCCCC(C)(C)CC(=O)O)CC(=O)O.
What is the InChIKey of 3,3,12,12-tetramethyltetradecanedioic acid?
The InChIKey is SRJWQXGYTPCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-17(2,13-15(19)20)11-9-7-5-6-8-10-12-18(3,4)14-16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 3,3,12,12-tetramethyltetradecanedioic acid?
3,3,12,12-tetramethyltetradecanedioic acid has a molecular weight of 314.47 g/mol, XLogP of 5.11, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,12,12-tetramethyltetradecanedioic acid is sourced from PubChem (CID 14614313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).