1-ethoxy-3-(oxolan-3-yl)propan-2-one

C9H16O3 — CID 103986160

IUPAC1-ethoxy-3-(oxolan-3-yl)propan-2-one
SMILESCCOCC(=O)CC1CCOC1
InChIInChI=1S/C9H16O3/c1-2-11-7-9(10)5-8-3-4-12-6-8/h8H,2-7H2,1H3
InChIKeyBTGYIYOYGFVCOY-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.02
Rot. Bonds5

About 1-ethoxy-3-(oxolan-3-yl)propan-2-one

1-ethoxy-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986160) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-ethoxy-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-(oxolan-3-yl)propan-2-one
PubChem CID103986160
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-ethoxy-3-(oxolan-3-yl)propan-2-one
SMILESCCOCC(=O)CC1CCOC1
InChIInChI=1S/C9H16O3/c1-2-11-7-9(10)5-8-3-4-12-6-8/h8H,2-7H2,1H3
InChIKeyBTGYIYOYGFVCOY-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 1-ethoxy-3-(oxolan-3-yl)propan-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 1-ethoxy-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-ethoxy-3-(oxolan-3-yl)propan-2-one (CID 103986160) is 1-ethoxy-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-ethoxy-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-ethoxy-3-(oxolan-3-yl)propan-2-one is CCOCC(=O)CC1CCOC1.
What is the InChIKey of 1-ethoxy-3-(oxolan-3-yl)propan-2-one?
The InChIKey is BTGYIYOYGFVCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-11-7-9(10)5-8-3-4-12-6-8/h8H,2-7H2,1H3.
What are the key properties of 1-ethoxy-3-(oxolan-3-yl)propan-2-one?
1-ethoxy-3-(oxolan-3-yl)propan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).