5-hydroxy-6-methoxyheptan-3-one

C8H16O3 — CID 22372350

IUPAC5-hydroxy-6-methoxyheptan-3-one
SMILESCCC(=O)CC(O)C(C)OC
InChIInChI=1S/C8H16O3/c1-4-7(9)5-8(10)6(2)11-3/h6,8,10H,4-5H2,1-3H3
InChIKeyVGWIMXUOVBRZLD-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.75
Rot. Bonds5

About 5-hydroxy-6-methoxyheptan-3-one

5-hydroxy-6-methoxyheptan-3-one (PubChem CID 22372350) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-hydroxy-6-methoxyheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-6-methoxyheptan-3-one
PubChem CID22372350
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-hydroxy-6-methoxyheptan-3-one
SMILESCCC(=O)CC(O)C(C)OC
InChIInChI=1S/C8H16O3/c1-4-7(9)5-8(10)6(2)11-3/h6,8,10H,4-5H2,1-3H3
InChIKeyVGWIMXUOVBRZLD-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-6-methoxyheptan-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

(2R,3S)-2-methoxypentan-3-ol
CID 13427568
5-methylnonane-3,7-dione
CID 58421184
(5R)-5-methylheptan-3-one
CID 6566014
4-methyloctane-3,6-dione
CID 14711976
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
methyl (2R,3S)-3-methyl-5-oxo-2-[(E)-prop-1-enyl]heptanoate
CID 101229604
(5S)-5-hydroxydecan-3-one
CID 102362310
(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one
CID 54201894
(2R,6R)-2-hydroxy-6-methoxyoctan-4-one
CID 101412951
1,2-dimethoxyethane;pentan-3-one
CID 87877054
2-methoxyhept-5-yn-3-ol
CID 79617738
4,5-dihydroxy-1-methoxyhexan-2-one
CID 54489389

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxyheptan-3-one?
The IUPAC name of 5-hydroxy-6-methoxyheptan-3-one (CID 22372350) is 5-hydroxy-6-methoxyheptan-3-one.
What is the SMILES notation for 5-hydroxy-6-methoxyheptan-3-one?
The canonical SMILES for 5-hydroxy-6-methoxyheptan-3-one is CCC(=O)CC(O)C(C)OC.
What is the InChIKey of 5-hydroxy-6-methoxyheptan-3-one?
The InChIKey is VGWIMXUOVBRZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(9)5-8(10)6(2)11-3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 5-hydroxy-6-methoxyheptan-3-one?
5-hydroxy-6-methoxyheptan-3-one has a molecular weight of 160.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxyheptan-3-one is sourced from PubChem (CID 22372350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).