dimethyl 2-hydroxy-2-methylpentanedioate

C8H14O5 — CID 11095400

IUPACdimethyl 2-hydroxy-2-methylpentanedioate
SMILESCOC(=O)CCC(C)(O)C(=O)OC
InChIInChI=1S/C8H14O5/c1-8(11,7(10)13-3)5-4-6(9)12-2/h11H,4-5H2,1-3H3
InChIKeyIKOMUOXAKMBYHO-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.14
Rot. Bonds4

About dimethyl 2-hydroxy-2-methylpentanedioate

dimethyl 2-hydroxy-2-methylpentanedioate (PubChem CID 11095400) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is dimethyl 2-hydroxy-2-methylpentanedioate.

Molecular Properties

Compound Namedimethyl 2-hydroxy-2-methylpentanedioate
PubChem CID11095400
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namedimethyl 2-hydroxy-2-methylpentanedioate
SMILESCOC(=O)CCC(C)(O)C(=O)OC
InChIInChI=1S/C8H14O5/c1-8(11,7(10)13-3)5-4-6(9)12-2/h11H,4-5H2,1-3H3
InChIKeyIKOMUOXAKMBYHO-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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-hydroxy-2-methylpentanedioate?
The IUPAC name of dimethyl 2-hydroxy-2-methylpentanedioate (CID 11095400) is dimethyl 2-hydroxy-2-methylpentanedioate.
What is the SMILES notation for dimethyl 2-hydroxy-2-methylpentanedioate?
The canonical SMILES for dimethyl 2-hydroxy-2-methylpentanedioate is COC(=O)CCC(C)(O)C(=O)OC.
What is the InChIKey of dimethyl 2-hydroxy-2-methylpentanedioate?
The InChIKey is IKOMUOXAKMBYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-8(11,7(10)13-3)5-4-6(9)12-2/h11H,4-5H2,1-3H3.
What are the key properties of dimethyl 2-hydroxy-2-methylpentanedioate?
dimethyl 2-hydroxy-2-methylpentanedioate 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 dimethyl 2-hydroxy-2-methylpentanedioate is sourced from PubChem (CID 11095400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).