4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one

C10H18O3 — CID 134175530

IUPAC4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one
SMILESCCC1CC(CCO)OC(=O)C1C
InChIInChI=1S/C10H18O3/c1-3-8-6-9(4-5-11)13-10(12)7(8)2/h7-9,11H,3-6H2,1-2H3
InChIKeyQZTSHEUHEBMZFG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one

4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one (PubChem CID 134175530) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one.

Molecular Properties

Compound Name4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one
PubChem CID134175530
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one
SMILESCCC1CC(CCO)OC(=O)C1C
InChIInChI=1S/C10H18O3/c1-3-8-6-9(4-5-11)13-10(12)7(8)2/h7-9,11H,3-6H2,1-2H3
InChIKeyQZTSHEUHEBMZFG-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one?
The IUPAC name of 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one (CID 134175530) is 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one.
What is the SMILES notation for 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one?
The canonical SMILES for 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one is CCC1CC(CCO)OC(=O)C1C.
What is the InChIKey of 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one?
The InChIKey is QZTSHEUHEBMZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8-6-9(4-5-11)13-10(12)7(8)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one?
4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2-hydroxyethyl)-3-methyloxan-2-one is sourced from PubChem (CID 134175530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).