2-hydroxy-6-methoxy-4-methylhexan-3-one

C8H16O3 — CID 103451528

IUPAC2-hydroxy-6-methoxy-4-methylhexan-3-one
SMILESCOCCC(C)C(=O)C(C)O
InChIInChI=1S/C8H16O3/c1-6(4-5-11-3)8(10)7(2)9/h6-7,9H,4-5H2,1-3H3
InChIKeyIUOSAIFAKDCYRY-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.61
Rot. Bonds5

About 2-hydroxy-6-methoxy-4-methylhexan-3-one

2-hydroxy-6-methoxy-4-methylhexan-3-one (PubChem CID 103451528) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-4-methylhexan-3-one.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-4-methylhexan-3-one
PubChem CID103451528
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-hydroxy-6-methoxy-4-methylhexan-3-one
SMILESCOCCC(C)C(=O)C(C)O
InChIInChI=1S/C8H16O3/c1-6(4-5-11-3)8(10)7(2)9/h6-7,9H,4-5H2,1-3H3
InChIKeyIUOSAIFAKDCYRY-UHFFFAOYSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-6-methoxy-4-methylhexan-3-one 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

6-Hydroxy-4-(2-hydroxyethyl)hexan-3-one
CID 20716340
3-Heptanone, 2-hydroxy-4-methyl-
CID 45085735
4-Ethyl-2-hydroxyhexan-3-one
CID 45085740
2-Hydroxy-1-(oxan-4-yl)propan-1-one
CID 68262231
4-Hydroxy-5-(hydroxymethyl)heptan-3-one
CID 88354846
3,5-Dihydroxy-1-methoxy-3-methylhexan-2-one
CID 91590295
2-Hydroxy-5-methylheptan-3-one
CID 103451454
2-Hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one
CID 123536335
1,3,5-Trihydroxy-4-methylhexan-2-one
CID 141071635
4-Ethyl-1,3-dihydroxyhexan-2-one
CID 174421327
2-Hydroxy-1-(oxan-4-yl)butan-1-one
CID 54400040
5-Hydroxy-1-methoxy-4-methylhexan-2-one
CID 80070163

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-4-methylhexan-3-one?
The IUPAC name of 2-hydroxy-6-methoxy-4-methylhexan-3-one (CID 103451528) is 2-hydroxy-6-methoxy-4-methylhexan-3-one.
What is the SMILES notation for 2-hydroxy-6-methoxy-4-methylhexan-3-one?
The canonical SMILES for 2-hydroxy-6-methoxy-4-methylhexan-3-one is COCCC(C)C(=O)C(C)O.
What is the InChIKey of 2-hydroxy-6-methoxy-4-methylhexan-3-one?
The InChIKey is IUOSAIFAKDCYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(4-5-11-3)8(10)7(2)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-6-methoxy-4-methylhexan-3-one?
2-hydroxy-6-methoxy-4-methylhexan-3-one has a molecular weight of 160.21 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-4-methylhexan-3-one is sourced from PubChem (CID 103451528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).