3,5-dihydroxy-3-methylpentanoic acid

C6H12O4 — CID 449

IUPAC3,5-dihydroxy-3-methylpentanoic acid
SMILESCC(O)(CCO)CC(=O)O
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChIKeyKJTLQQUUPVSXIM-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.41
Rot. Bonds4

About 3,5-dihydroxy-3-methylpentanoic acid

3,5-dihydroxy-3-methylpentanoic acid (PubChem CID 449) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3,5-dihydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name3,5-dihydroxy-3-methylpentanoic acid
PubChem CID449
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name3,5-dihydroxy-3-methylpentanoic acid
SMILESCC(O)(CCO)CC(=O)O
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChIKeyKJTLQQUUPVSXIM-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

3-Hydroxy-3-methylglutaric acid
CID 1662
(R)-(-)-Mevalonic acid
CID 439230
(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
CID 439400
(R)-mevalonate
CID 5288798
3-Hydroxy-3-methylpentanoic acid
CID 538288
(R)-5-phosphonatomevalonate(3-)
CID 25244548
Mevalonate
CID 4478250
(R)-Mevalonate 3-phosphate
CID 86287502
Homomevalonic acid
CID 3080831
Dimethyl 3-hydroxy-3-methylglutarate
CID 92482
Phosphomevalonic acid
CID 476
(R)-Mevalonic acid lithium salt
CID 55296253

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-3-methylpentanoic acid?
The IUPAC name of 3,5-dihydroxy-3-methylpentanoic acid (CID 449) is 3,5-dihydroxy-3-methylpentanoic acid.
What is the SMILES notation for 3,5-dihydroxy-3-methylpentanoic acid?
The canonical SMILES for 3,5-dihydroxy-3-methylpentanoic acid is CC(O)(CCO)CC(=O)O.
What is the InChIKey of 3,5-dihydroxy-3-methylpentanoic acid?
The InChIKey is KJTLQQUUPVSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 3,5-dihydroxy-3-methylpentanoic acid?
3,5-dihydroxy-3-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 3,5-dihydroxy-3-methylpentanoic acid is sourced from PubChem (CID 449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).