5-hydroxy-4-methoxy-6-methyloxan-2-one

C7H12O4 — CID 18534399

IUPAC5-hydroxy-4-methoxy-6-methyloxan-2-one
SMILESCOC1CC(=O)OC(C)C1O
InChIInChI=1S/C7H12O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-5,7,9H,3H2,1-2H3
InChIKeyUYJNPQDJOGPPMU-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds1

About 5-hydroxy-4-methoxy-6-methyloxan-2-one

5-hydroxy-4-methoxy-6-methyloxan-2-one (PubChem CID 18534399) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-6-methyloxan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-6-methyloxan-2-one
PubChem CID18534399
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name5-hydroxy-4-methoxy-6-methyloxan-2-one
SMILESCOC1CC(=O)OC(C)C1O
InChIInChI=1S/C7H12O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-5,7,9H,3H2,1-2H3
InChIKeyUYJNPQDJOGPPMU-UHFFFAOYSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10241281
[5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate
CID 163025863
(4R,5R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 139193326
4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 72785168
(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
CID 66553643
(2-methyl-5-oxooxolan-3-yl) 4,4-dimethylhexanoate
CID 71189001
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
(4R,5S,6R)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-one
CID 11183931

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-6-methyloxan-2-one?
The IUPAC name of 5-hydroxy-4-methoxy-6-methyloxan-2-one (CID 18534399) is 5-hydroxy-4-methoxy-6-methyloxan-2-one.
What is the SMILES notation for 5-hydroxy-4-methoxy-6-methyloxan-2-one?
The canonical SMILES for 5-hydroxy-4-methoxy-6-methyloxan-2-one is COC1CC(=O)OC(C)C1O.
What is the InChIKey of 5-hydroxy-4-methoxy-6-methyloxan-2-one?
The InChIKey is UYJNPQDJOGPPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-5,7,9H,3H2,1-2H3.
What are the key properties of 5-hydroxy-4-methoxy-6-methyloxan-2-one?
5-hydroxy-4-methoxy-6-methyloxan-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-6-methyloxan-2-one is sourced from PubChem (CID 18534399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).