2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone

C12H20O4 — CID 104751703

IUPAC2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone
SMILESO=C(COCC1CCCCO1)C1CCOC1
InChIInChI=1S/C12H20O4/c13-12(10-4-6-14-7-10)9-15-8-11-3-1-2-5-16-11/h10-11H,1-9H2
InChIKeyLJDZGVAMSIRFJB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds5

About 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone

2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone (PubChem CID 104751703) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone
PubChem CID104751703
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone
SMILESO=C(COCC1CCCCO1)C1CCOC1
InChIInChI=1S/C12H20O4/c13-12(10-4-6-14-7-10)9-15-8-11-3-1-2-5-16-11/h10-11H,1-9H2
InChIKeyLJDZGVAMSIRFJB-UHFFFAOYSA-N
XLogP1.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-2-ylmethoxy)-1-(oxolan-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-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone (CID 104751703) is 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone is O=C(COCC1CCCCO1)C1CCOC1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone?
The InChIKey is LJDZGVAMSIRFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-12(10-4-6-14-7-10)9-15-8-11-3-1-2-5-16-11/h10-11H,1-9H2.
What are the key properties of 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone?
2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).