diethyl 2-hydroxy-2-methylpropanedioate

C8H14O5 — CID 11229253

IUPACdiethyl 2-hydroxy-2-methylpropanedioate
SMILESCCOC(=O)C(C)(O)C(=O)OCC
InChIInChI=1S/C8H14O5/c1-4-12-6(9)8(3,11)7(10)13-5-2/h11H,4-5H2,1-3H3
InChIKeyAADFAKNRCHZLNB-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.14
Rot. Bonds4

About diethyl 2-hydroxy-2-methylpropanedioate

diethyl 2-hydroxy-2-methylpropanedioate (PubChem CID 11229253) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is diethyl 2-hydroxy-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-hydroxy-2-methylpropanedioate
PubChem CID11229253
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namediethyl 2-hydroxy-2-methylpropanedioate
SMILESCCOC(=O)C(C)(O)C(=O)OCC
InChIInChI=1S/C8H14O5/c1-4-12-6(9)8(3,11)7(10)13-5-2/h11H,4-5H2,1-3H3
InChIKeyAADFAKNRCHZLNB-UHFFFAOYSA-N
XLogP-0.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-hydroxy-2-methylpropanedioate?
The IUPAC name of diethyl 2-hydroxy-2-methylpropanedioate (CID 11229253) is diethyl 2-hydroxy-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-hydroxy-2-methylpropanedioate?
The canonical SMILES for diethyl 2-hydroxy-2-methylpropanedioate is CCOC(=O)C(C)(O)C(=O)OCC.
What is the InChIKey of diethyl 2-hydroxy-2-methylpropanedioate?
The InChIKey is AADFAKNRCHZLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-4-12-6(9)8(3,11)7(10)13-5-2/h11H,4-5H2,1-3H3.
What are the key properties of diethyl 2-hydroxy-2-methylpropanedioate?
diethyl 2-hydroxy-2-methylpropanedioate has a molecular weight of 190.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-hydroxy-2-methylpropanedioate is sourced from PubChem (CID 11229253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).