2-ethyloctanedioic acid

C10H18O4 — CID 19872

IUPAC2-ethyloctanedioic acid
SMILESCCC(CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyWUDDSDIHJHPJRP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.13
Rot. Bonds8

About 2-ethyloctanedioic acid

2-ethyloctanedioic acid (PubChem CID 19872) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-ethyloctanedioic acid.

Molecular Properties

Compound Name2-ethyloctanedioic acid
PubChem CID19872
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-ethyloctanedioic acid
SMILESCCC(CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyWUDDSDIHJHPJRP-UHFFFAOYSA-N
XLogP2.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyloctanedioic 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 2-ethyloctanedioic acid?
The IUPAC name of 2-ethyloctanedioic acid (CID 19872) is 2-ethyloctanedioic acid.
What is the SMILES notation for 2-ethyloctanedioic acid?
The canonical SMILES for 2-ethyloctanedioic acid is CCC(CCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-ethyloctanedioic acid?
The InChIKey is WUDDSDIHJHPJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-ethyloctanedioic acid?
2-ethyloctanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloctanedioic acid is sourced from PubChem (CID 19872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).