5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid

C9H16O6 — CID 175567598

IUPAC5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)OC(CO)CO
InChIInChI=1S/C9H16O6/c1-6(2-8(12)13)3-9(14)15-7(4-10)5-11/h6-7,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyXOLSKTMYSAIJSY-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.62
Rot. Bonds7

About 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid

5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid (PubChem CID 175567598) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid
PubChem CID175567598
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)OC(CO)CO
InChIInChI=1S/C9H16O6/c1-6(2-8(12)13)3-9(14)15-7(4-10)5-11/h6-7,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyXOLSKTMYSAIJSY-UHFFFAOYSA-N
XLogP-0.62
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-3-carboxy-2-(4-carboxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
CID 174950971
strontium;hydride;3-methylpentanedioic acid
CID 173490798
[(2R)-3-carboxy-2-[(3S)-5-carboxy-3-methylpentanoyl]oxypropyl]-trimethylazanium
CID 156960914
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
8-hydroxy-3,7-dimethyloctanoic acid
CID 22035520
methane;bis((3R)-3-methylpentanoic acid);(3R)-3-propanoyloxypentanoic acid
CID 158318651
[3-carboxy-2-(3-methyldecanoyloxy)propyl]-trimethylazanium
CID 156960966
[3-carboxy-2-(3-methylicosanoyloxy)propyl]-trimethylazanium
CID 156961201
(3S,6R)-6-[(3S,6R)-3,6-dihydroxy-10-methylundecanoyl]oxy-3,10-dimethylundecanoic acid
CID 134832729
(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 86665259
4-(1,3-dihydroxypropan-2-yloxy)-2-hydroxy-4-oxobutanoate
CID 18612380
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid (CID 175567598) is 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)OC(CO)CO.
What is the InChIKey of 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid?
The InChIKey is XOLSKTMYSAIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-6(2-8(12)13)3-9(14)15-7(4-10)5-11/h6-7,10-11H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid?
5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid has a molecular weight of 220.22 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroxypropan-2-yloxy)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 175567598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).