4,5-dihydroxy-4-methylpentanoic acid

C6H12O4 — CID 55303456

IUPAC4,5-dihydroxy-4-methylpentanoic acid
SMILESCC(O)(CO)CCC(=O)O
InChIInChI=1S/C6H12O4/c1-6(10,4-7)3-2-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChIKeyILXQJDLROBFTRI-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.41
Rot. Bonds4

About 4,5-dihydroxy-4-methylpentanoic acid

4,5-dihydroxy-4-methylpentanoic acid (PubChem CID 55303456) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4,5-dihydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name4,5-dihydroxy-4-methylpentanoic acid
PubChem CID55303456
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name4,5-dihydroxy-4-methylpentanoic acid
SMILESCC(O)(CO)CCC(=O)O
InChIInChI=1S/C6H12O4/c1-6(10,4-7)3-2-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChIKeyILXQJDLROBFTRI-UHFFFAOYSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-methyloctanoic acid
CID 18462846
4-hydroxy-4,6-dimethylheptanoic acid
CID 66324059
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
8,8,8-trifluoro-4-hydroxy-4-methyloctanoic acid
CID 116536112
4-formyl-5-hydroxy-4-methylpentanoic acid
CID 123307328
4,4-dihydroxyheptanedioic acid
CID 87892288
4-amino-4-methylpentanoic acid
CID 158438218
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
CID 137482879
4-ethyl-4-hydroxyhexanoic acid
CID 18462839
4,4-dimethylhexanoic acid
CID 12563914
4-cyclopropyl-4-hydroxypentanoic acid
CID 66324061

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-4-methylpentanoic acid?
The IUPAC name of 4,5-dihydroxy-4-methylpentanoic acid (CID 55303456) is 4,5-dihydroxy-4-methylpentanoic acid.
What is the SMILES notation for 4,5-dihydroxy-4-methylpentanoic acid?
The canonical SMILES for 4,5-dihydroxy-4-methylpentanoic acid is CC(O)(CO)CCC(=O)O.
What is the InChIKey of 4,5-dihydroxy-4-methylpentanoic acid?
The InChIKey is ILXQJDLROBFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(10,4-7)3-2-5(8)9/h7,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 4,5-dihydroxy-4-methylpentanoic acid?
4,5-dihydroxy-4-methylpentanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-4-methylpentanoic acid is sourced from PubChem (CID 55303456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).