diethyl 2-methyl-3-oxopentanedioate

C10H16O5 — CID 10921903

IUPACdiethyl 2-methyl-3-oxopentanedioate
SMILESCCOC(=O)CC(=O)C(C)C(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-14-9(12)6-8(11)7(3)10(13)15-5-2/h7H,4-6H2,1-3H3
InChIKeyFCKSNVVXZMPTAQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.71
Rot. Bonds6

About diethyl 2-methyl-3-oxopentanedioate

diethyl 2-methyl-3-oxopentanedioate (PubChem CID 10921903) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is diethyl 2-methyl-3-oxopentanedioate.

Molecular Properties

Compound Namediethyl 2-methyl-3-oxopentanedioate
PubChem CID10921903
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namediethyl 2-methyl-3-oxopentanedioate
SMILESCCOC(=O)CC(=O)C(C)C(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-14-9(12)6-8(11)7(3)10(13)15-5-2/h7H,4-6H2,1-3H3
InChIKeyFCKSNVVXZMPTAQ-UHFFFAOYSA-N
XLogP0.71
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl 2-methyl-3-oxopentanedioate 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 diethyl 2-methyl-3-oxopentanedioate?
The IUPAC name of diethyl 2-methyl-3-oxopentanedioate (CID 10921903) is diethyl 2-methyl-3-oxopentanedioate.
What is the SMILES notation for diethyl 2-methyl-3-oxopentanedioate?
The canonical SMILES for diethyl 2-methyl-3-oxopentanedioate is CCOC(=O)CC(=O)C(C)C(=O)OCC.
What is the InChIKey of diethyl 2-methyl-3-oxopentanedioate?
The InChIKey is FCKSNVVXZMPTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-14-9(12)6-8(11)7(3)10(13)15-5-2/h7H,4-6H2,1-3H3.
What are the key properties of diethyl 2-methyl-3-oxopentanedioate?
diethyl 2-methyl-3-oxopentanedioate has a molecular weight of 216.23 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-3-oxopentanedioate is sourced from PubChem (CID 10921903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).