3-hydroxy-4-methoxypentan-2-one

C6H12O3 — CID 100919894

IUPAC3-hydroxy-4-methoxypentan-2-one
SMILESCOC(C)C(O)C(C)=O
InChIInChI=1S/C6H12O3/c1-4(7)6(8)5(2)9-3/h5-6,8H,1-3H3
InChIKeyUZIVUZDZTVBGLI-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.03
Rot. Bonds3

About 3-hydroxy-4-methoxypentan-2-one

3-hydroxy-4-methoxypentan-2-one (PubChem CID 100919894) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-hydroxy-4-methoxypentan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxypentan-2-one
PubChem CID100919894
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-hydroxy-4-methoxypentan-2-one
SMILESCOC(C)C(O)C(C)=O
InChIInChI=1S/C6H12O3/c1-4(7)6(8)5(2)9-3/h5-6,8H,1-3H3
InChIKeyUZIVUZDZTVBGLI-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxypentan-2-one
CID 58914399
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one
CID 54201894
(3R,4R)-4-amino-3-hydroxypentan-2-one
CID 59046379
deuterium monohydride;3-methoxybutan-2-ol;phosphane
CID 157416424
methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
CID 87502135
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812
[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
CID 118920598
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxypentan-2-one?
The IUPAC name of 3-hydroxy-4-methoxypentan-2-one (CID 100919894) is 3-hydroxy-4-methoxypentan-2-one.
What is the SMILES notation for 3-hydroxy-4-methoxypentan-2-one?
The canonical SMILES for 3-hydroxy-4-methoxypentan-2-one is COC(C)C(O)C(C)=O.
What is the InChIKey of 3-hydroxy-4-methoxypentan-2-one?
The InChIKey is UZIVUZDZTVBGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(7)6(8)5(2)9-3/h5-6,8H,1-3H3.
What are the key properties of 3-hydroxy-4-methoxypentan-2-one?
3-hydroxy-4-methoxypentan-2-one has a molecular weight of 132.16 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxypentan-2-one is sourced from PubChem (CID 100919894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).