CID 59070976

C11H16O4 — CID 59070976

IUPAC—
SMILES[CH]C(CC(=O)OC(C=C)CC(C)=O)OC
InChIInChI=1S/C11H16O4/c1-5-10(6-8(2)12)15-11(13)7-9(3)14-4/h3,5,9-10H,1,6-7H2,2,4H3
InChIKeyOVPIRDDXPZIEPE-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.18
Rot. Bonds7

About CID 59070976

CID 59070976 (PubChem CID 59070976) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol.

Molecular Properties

Compound NameCID 59070976
PubChem CID59070976
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name—
SMILES[CH]C(CC(=O)OC(C=C)CC(C)=O)OC
InChIInChI=1S/C11H16O4/c1-5-10(6-8(2)12)15-11(13)7-9(3)14-4/h3,5,9-10H,1,6-7H2,2,4H3
InChIKeyOVPIRDDXPZIEPE-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 59070976 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 59070976?
The IUPAC name of CID 59070976 (CID 59070976) is not available.
What is the SMILES notation for CID 59070976?
The canonical SMILES for CID 59070976 is [CH]C(CC(=O)OC(C=C)CC(C)=O)OC.
What is the InChIKey of CID 59070976?
The InChIKey is OVPIRDDXPZIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-10(6-8(2)12)15-11(13)7-9(3)14-4/h3,5,9-10H,1,6-7H2,2,4H3.
What are the key properties of CID 59070976?
CID 59070976 has a molecular weight of 212.24 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070976 is sourced from PubChem (CID 59070976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).