CID 156594935

C8H13O4 — CID 156594935

IUPAC—
SMILESCCC[C](C(=O)OC)C(=O)OC
InChIInChI=1S/C8H13O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4-5H2,1-3H3
InChIKeyZVXWTZLFHCSSDW-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.71
Rot. Bonds4

About CID 156594935

CID 156594935 (PubChem CID 156594935) has the molecular formula C8H13O4 and a molecular weight of 173.19 g/mol.

Molecular Properties

Compound NameCID 156594935
PubChem CID156594935
Molecular FormulaC8H13O4
Molecular Weight173.19 g/mol
Exact Mass173.08
IUPAC Name—
SMILESCCC[C](C(=O)OC)C(=O)OC
InChIInChI=1S/C8H13O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4-5H2,1-3H3
InChIKeyZVXWTZLFHCSSDW-UHFFFAOYSA-N
XLogP0.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze CID 156594935 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 156594935?
The IUPAC name of CID 156594935 (CID 156594935) is not available.
What is the SMILES notation for CID 156594935?
The canonical SMILES for CID 156594935 is CCC[C](C(=O)OC)C(=O)OC.
What is the InChIKey of CID 156594935?
The InChIKey is ZVXWTZLFHCSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4-5H2,1-3H3.
What are the key properties of CID 156594935?
CID 156594935 has a molecular weight of 173.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156594935 is sourced from PubChem (CID 156594935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).