(2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate

C10H16O5 — CID 10059151

IUPAC(2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate
SMILESCOC(=O)COC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C10H16O5/c1-10(2,3)7(11)5-8(12)15-6-9(13)14-4/h5-6H2,1-4H3
InChIKeyDZAQGNKQXZOSHE-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.71
Rot. Bonds4

About (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate

(2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate (PubChem CID 10059151) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate
PubChem CID10059151
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate
SMILESCOC(=O)COC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C10H16O5/c1-10(2,3)7(11)5-8(12)15-6-9(13)14-4/h5-6H2,1-4H3
InChIKeyDZAQGNKQXZOSHE-UHFFFAOYSA-N
XLogP0.71
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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 (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate 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-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate (CID 10059151) is (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate is COC(=O)COC(=O)CC(=O)C(C)(C)C.
What is the InChIKey of (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate?
The InChIKey is DZAQGNKQXZOSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(2,3)7(11)5-8(12)15-6-9(13)14-4/h5-6H2,1-4H3.
What are the key properties of (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate?
(2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate has a molecular weight of 216.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate is sourced from PubChem (CID 10059151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).