diethyl 2-acetyloxy-2-methylpropanedioate

C10H16O6 — CID 14271792

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

About diethyl 2-acetyloxy-2-methylpropanedioate

diethyl 2-acetyloxy-2-methylpropanedioate (PubChem CID 14271792) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is diethyl 2-acetyloxy-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-acetyloxy-2-methylpropanedioate
PubChem CID14271792
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namediethyl 2-acetyloxy-2-methylpropanedioate
SMILESCCOC(=O)C(C)(OC(C)=O)C(=O)OCC
InChIInChI=1S/C10H16O6/c1-5-14-8(12)10(4,16-7(3)11)9(13)15-6-2/h5-6H2,1-4H3
InChIKeyWEDRSFVMDKQFSU-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'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-diacetyloxy-3,3-dimethylbutanoate
CID 175506846
dimethyl 2-acetyloxy-2-methylpropanedioate
CID 87273644
ethanol;(3-methyl-2,4-dioxopentan-3-yl) acetate
CID 88995879
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-dimethylbismuthanyl-2-methylpropanoate
CID 87372616
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
CID 15650163
1-O,3-O-diethyl 2-O-methyl 2-acetyloxypropane-1,2,3-tricarboxylate
CID 169315774
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetyloxy-2-methylpropanedioate?
The IUPAC name of diethyl 2-acetyloxy-2-methylpropanedioate (CID 14271792) is diethyl 2-acetyloxy-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-acetyloxy-2-methylpropanedioate?
The canonical SMILES for diethyl 2-acetyloxy-2-methylpropanedioate is CCOC(=O)C(C)(OC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetyloxy-2-methylpropanedioate?
The InChIKey is WEDRSFVMDKQFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-5-14-8(12)10(4,16-7(3)11)9(13)15-6-2/h5-6H2,1-4H3.
What are the key properties of diethyl 2-acetyloxy-2-methylpropanedioate?
diethyl 2-acetyloxy-2-methylpropanedioate 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 diethyl 2-acetyloxy-2-methylpropanedioate is sourced from PubChem (CID 14271792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).