2-ethoxy-1-(5-methyloxolan-3-yl)ethanone

C9H16O3 — CID 115782895

IUPAC2-ethoxy-1-(5-methyloxolan-3-yl)ethanone
SMILESCCOCC(=O)C1COC(C)C1
InChIInChI=1S/C9H16O3/c1-3-11-6-9(10)8-4-7(2)12-5-8/h7-8H,3-6H2,1-2H3
InChIKeyVIGRXNHDUXTUJQ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.02
Rot. Bonds4

About 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone

2-ethoxy-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 115782895) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(5-methyloxolan-3-yl)ethanone
PubChem CID115782895
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-ethoxy-1-(5-methyloxolan-3-yl)ethanone
SMILESCCOCC(=O)C1COC(C)C1
InChIInChI=1S/C9H16O3/c1-3-11-6-9(10)8-4-7(2)12-5-8/h7-8H,3-6H2,1-2H3
InChIKeyVIGRXNHDUXTUJQ-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone 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 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone (CID 115782895) is 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone is CCOCC(=O)C1COC(C)C1.
What is the InChIKey of 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is VIGRXNHDUXTUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-11-6-9(10)8-4-7(2)12-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone?
2-ethoxy-1-(5-methyloxolan-3-yl)ethanone has a molecular weight of 172.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 115782895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).