CID 59767666

C6H11O3 — CID 59767666

IUPAC—
SMILESCC(O)C[CH]CC(=O)O
InChIInChI=1S/C6H11O3/c1-5(7)3-2-4-6(8)9/h2,5,7H,3-4H2,1H3,(H,8,9)
InChIKeyJNRBRIZFUBXDIN-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.44
Rot. Bonds4

About CID 59767666

CID 59767666 (PubChem CID 59767666) has the molecular formula C6H11O3 and a molecular weight of 131.15 g/mol.

Molecular Properties

Compound NameCID 59767666
PubChem CID59767666
Molecular FormulaC6H11O3
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name—
SMILESCC(O)C[CH]CC(=O)O
InChIInChI=1S/C6H11O3/c1-5(7)3-2-4-6(8)9/h2,5,7H,3-4H2,1H3,(H,8,9)
InChIKeyJNRBRIZFUBXDIN-UHFFFAOYSA-N
XLogP0.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze CID 59767666 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 CID 59767666?
The IUPAC name of CID 59767666 (CID 59767666) is not available.
What is the SMILES notation for CID 59767666?
The canonical SMILES for CID 59767666 is CC(O)C[CH]CC(=O)O.
What is the InChIKey of CID 59767666?
The InChIKey is JNRBRIZFUBXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3/c1-5(7)3-2-4-6(8)9/h2,5,7H,3-4H2,1H3,(H,8,9).
What are the key properties of CID 59767666?
CID 59767666 has a molecular weight of 131.15 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59767666 is sourced from PubChem (CID 59767666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).