2,4-dihydroxy-2-methylpentanedioic acid

C6H10O6 — CID 19897235

IUPAC2,4-dihydroxy-2-methylpentanedioic acid
SMILESCC(O)(CC(O)C(=O)O)C(=O)O
InChIInChI=1S/C6H10O6/c1-6(12,5(10)11)2-3(7)4(8)9/h3,7,12H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyLATMCEGPYBAZIU-UHFFFAOYSA-N
MW178.14 g/mol
LogP-1.34
Rot. Bonds4

About 2,4-dihydroxy-2-methylpentanedioic acid

2,4-dihydroxy-2-methylpentanedioic acid (PubChem CID 19897235) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2,4-dihydroxy-2-methylpentanedioic acid.

Molecular Properties

Compound Name2,4-dihydroxy-2-methylpentanedioic acid
PubChem CID19897235
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2,4-dihydroxy-2-methylpentanedioic acid
SMILESCC(O)(CC(O)C(=O)O)C(=O)O
InChIInChI=1S/C6H10O6/c1-6(12,5(10)11)2-3(7)4(8)9/h3,7,12H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyLATMCEGPYBAZIU-UHFFFAOYSA-N
XLogP-1.34
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-2-methylpentanedioic acid?
The IUPAC name of 2,4-dihydroxy-2-methylpentanedioic acid (CID 19897235) is 2,4-dihydroxy-2-methylpentanedioic acid.
What is the SMILES notation for 2,4-dihydroxy-2-methylpentanedioic acid?
The canonical SMILES for 2,4-dihydroxy-2-methylpentanedioic acid is CC(O)(CC(O)C(=O)O)C(=O)O.
What is the InChIKey of 2,4-dihydroxy-2-methylpentanedioic acid?
The InChIKey is LATMCEGPYBAZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c1-6(12,5(10)11)2-3(7)4(8)9/h3,7,12H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2,4-dihydroxy-2-methylpentanedioic acid?
2,4-dihydroxy-2-methylpentanedioic acid has a molecular weight of 178.14 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-2-methylpentanedioic acid is sourced from PubChem (CID 19897235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).