2-decyldecanedioic acid

C20H38O4 — CID 154173290

IUPAC2-decyldecanedioic acid
SMILESCCCCCCCCCCC(CCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C20H38O4/c1-2-3-4-5-6-7-9-12-15-18(20(23)24)16-13-10-8-11-14-17-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24)
InChIKeyWMSFUNCUEICUIM-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.03
Rot. Bonds18

About 2-decyldecanedioic acid

2-decyldecanedioic acid (PubChem CID 154173290) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-decyldecanedioic acid.

Molecular Properties

Compound Name2-decyldecanedioic acid
PubChem CID154173290
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2-decyldecanedioic acid
SMILESCCCCCCCCCCC(CCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C20H38O4/c1-2-3-4-5-6-7-9-12-15-18(20(23)24)16-13-10-8-11-14-17-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24)
InChIKeyWMSFUNCUEICUIM-UHFFFAOYSA-N
XLogP6.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-decyldecanedioic 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

dodecanoic acid;2-hexyldodecanoic acid
CID 161039741
2-octyltridecanedioic acid
CID 4026101
2-octylheptanedioic acid
CID 14718571
2-octyltetradecanedioic acid
CID 21327661
hexanedioic acid;2-octyldodecanoic acid
CID 175292744
hentriacontane-1,19,26-tricarboxylic acid
CID 174861570
2-tetradecyloctadecanedioic acid
CID 57131280
2-butyloctanoic acid;dodecanoic acid
CID 88793942
2-decylhexanedioic acid;2-octylhexanedioic acid
CID 87982352
2-heptylpentanedioic acid
CID 18353896
2,5-dioctyldecanedioic acid
CID 57235020
icosane-1,3,7-tricarboxylic acid
CID 141268495

Frequently Asked Questions

What is the IUPAC name of 2-decyldecanedioic acid?
The IUPAC name of 2-decyldecanedioic acid (CID 154173290) is 2-decyldecanedioic acid.
What is the SMILES notation for 2-decyldecanedioic acid?
The canonical SMILES for 2-decyldecanedioic acid is CCCCCCCCCCC(CCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-decyldecanedioic acid?
The InChIKey is WMSFUNCUEICUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-2-3-4-5-6-7-9-12-15-18(20(23)24)16-13-10-8-11-14-17-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-decyldecanedioic acid?
2-decyldecanedioic acid has a molecular weight of 342.52 g/mol, XLogP of 6.03, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyldecanedioic acid is sourced from PubChem (CID 154173290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).