dimethyl 2-acetyloxy-2-methylpentanedioate

C10H16O6 — CID 86164720

IUPACdimethyl 2-acetyloxy-2-methylpentanedioate
SMILESCOC(=O)CCC(C)(OC(C)=O)C(=O)OC
InChIInChI=1S/C10H16O6/c1-7(11)16-10(2,9(13)15-4)6-5-8(12)14-3/h5-6H2,1-4H3
InChIKeySAWPYPPBAFZBJW-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.43
Rot. Bonds5

About dimethyl 2-acetyloxy-2-methylpentanedioate

dimethyl 2-acetyloxy-2-methylpentanedioate (PubChem CID 86164720) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl 2-acetyloxy-2-methylpentanedioate.

Molecular Properties

Compound Namedimethyl 2-acetyloxy-2-methylpentanedioate
PubChem CID86164720
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl 2-acetyloxy-2-methylpentanedioate
SMILESCOC(=O)CCC(C)(OC(C)=O)C(=O)OC
InChIInChI=1S/C10H16O6/c1-7(11)16-10(2,9(13)15-4)6-5-8(12)14-3/h5-6H2,1-4H3
InChIKeySAWPYPPBAFZBJW-UHFFFAOYSA-N
XLogP0.43
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethyl 2,2-dimethoxypentanedioate
CID 10846557
Dimethyl 2-acetyloxypentanedioate
CID 13081433
Trimethyl 2-methoxypropane-1,2,3-tricarboxylate
CID 593847
Diethyl 2-hydroxy-2,4-dimethylpentanedioate
CID 172152992
Dimethyl 2-hydroxy-2-methylglutarate
CID 11095400
Propyl 2-methyl-5-oxooxolane-2-carboxylate
CID 249194
Methyl 2-methyl-5-oxooxolane-2-carboxylate
CID 315164
Diethyl 2-acetyloxypentanedioate
CID 13869973
1-t-Butyl 5-methyl 2-oxoglutarate
CID 14456778
Trimethyl 2-acetyloxypropane-1,2,3-tricarboxylate
CID 14718306
Trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate
CID 14718307
[5-(Methoxymethyl)-3,5-dimethyl-2-oxooxolan-3-yl] 2,2-dimethylbutanoate
CID 20622156

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-acetyloxy-2-methylpentanedioate?
The IUPAC name of dimethyl 2-acetyloxy-2-methylpentanedioate (CID 86164720) is dimethyl 2-acetyloxy-2-methylpentanedioate.
What is the SMILES notation for dimethyl 2-acetyloxy-2-methylpentanedioate?
The canonical SMILES for dimethyl 2-acetyloxy-2-methylpentanedioate is COC(=O)CCC(C)(OC(C)=O)C(=O)OC.
What is the InChIKey of dimethyl 2-acetyloxy-2-methylpentanedioate?
The InChIKey is SAWPYPPBAFZBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-7(11)16-10(2,9(13)15-4)6-5-8(12)14-3/h5-6H2,1-4H3.
What are the key properties of dimethyl 2-acetyloxy-2-methylpentanedioate?
dimethyl 2-acetyloxy-2-methylpentanedioate has a molecular weight of 232.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-acetyloxy-2-methylpentanedioate is sourced from PubChem (CID 86164720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).