6-hydroxy-4-(2-hydroxyethyl)hexan-3-one

C8H16O3 — CID 20716340

IUPAC6-hydroxy-4-(2-hydroxyethyl)hexan-3-one
SMILESCCC(=O)C(CCO)CCO
InChIInChI=1S/C8H16O3/c1-2-8(11)7(3-5-9)4-6-10/h7,9-10H,2-6H2,1H3
InChIKeyFMXWGLOFNWYLES-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.35
Rot. Bonds6

About 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one

6-hydroxy-4-(2-hydroxyethyl)hexan-3-one (PubChem CID 20716340) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one.

Molecular Properties

Compound Name6-hydroxy-4-(2-hydroxyethyl)hexan-3-one
PubChem CID20716340
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6-hydroxy-4-(2-hydroxyethyl)hexan-3-one
SMILESCCC(=O)C(CCO)CCO
InChIInChI=1S/C8H16O3/c1-2-8(11)7(3-5-9)4-6-10/h7,9-10H,2-6H2,1H3
InChIKeyFMXWGLOFNWYLES-UHFFFAOYSA-N
XLogP0.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-4-(2-hydroxyethyl)hexan-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

2-Hydroxy-5-methylheptan-4-one
CID 89306439
6-Hydroxy-2-methyl-3-hexanone
CID 10866367
2-Ethyl-1-hydroxy-3-hexanone
CID 11116179
5-Hydroxy-4-methylhexan-2-one
CID 19992620
7-Hydroxy-3-(2-hydroxyethyl)heptan-2-one
CID 22345924
5-(Hydroxymethyl)heptan-2-one
CID 45085730
5-(Hydroxymethyl)heptan-3-one
CID 57155571
3-(3-Hydroxypropyl)pentane-2,4-dione
CID 89151171
Hydroxy-3-propyl hexan-2-one
CID 129719644
6-Hydroxy-4-(hydroxymethyl)hexan-2-one
CID 10012040
1-Hydroxy-3-methyloctan-4-one
CID 13164087
7-Hydroxy-5-propylheptan-4-one
CID 129756401

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one?
The IUPAC name of 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one (CID 20716340) is 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one.
What is the SMILES notation for 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one?
The canonical SMILES for 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one is CCC(=O)C(CCO)CCO.
What is the InChIKey of 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one?
The InChIKey is FMXWGLOFNWYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-8(11)7(3-5-9)4-6-10/h7,9-10H,2-6H2,1H3.
What are the key properties of 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one?
6-hydroxy-4-(2-hydroxyethyl)hexan-3-one has a molecular weight of 160.21 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(2-hydroxyethyl)hexan-3-one is sourced from PubChem (CID 20716340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).