4-ethyloxane;3-ethyloxolane

C13H26O2 — CID 154645009

IUPAC4-ethyloxane;3-ethyloxolane
SMILESCCC1CCOC1.CCC1CCOCC1
InChIInChI=1S/C7H14O.C6H12O/c1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6/h7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyOYCQRNBDHPZOII-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.26
Rot. Bonds2

About 4-ethyloxane;3-ethyloxolane

4-ethyloxane;3-ethyloxolane (PubChem CID 154645009) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-ethyloxane;3-ethyloxolane.

Molecular Properties

Compound Name4-ethyloxane;3-ethyloxolane
PubChem CID154645009
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-ethyloxane;3-ethyloxolane
SMILESCCC1CCOC1.CCC1CCOCC1
InChIInChI=1S/C7H14O.C6H12O/c1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6/h7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyOYCQRNBDHPZOII-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyloxane;3-ethyloxolane 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-ethyloxane;3-ethyloxolane?
The IUPAC name of 4-ethyloxane;3-ethyloxolane (CID 154645009) is 4-ethyloxane;3-ethyloxolane.
What is the SMILES notation for 4-ethyloxane;3-ethyloxolane?
The canonical SMILES for 4-ethyloxane;3-ethyloxolane is CCC1CCOC1.CCC1CCOCC1.
What is the InChIKey of 4-ethyloxane;3-ethyloxolane?
The InChIKey is OYCQRNBDHPZOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H12O/c1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6/h7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 4-ethyloxane;3-ethyloxolane?
4-ethyloxane;3-ethyloxolane has a molecular weight of 214.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxane;3-ethyloxolane is sourced from PubChem (CID 154645009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).