4-ethoxy-2,6-dimethyloxane

C9H18O2 — CID 58376118

IUPAC4-ethoxy-2,6-dimethyloxane
SMILESCCOC1CC(C)OC(C)C1
InChIInChI=1S/C9H18O2/c1-4-10-9-5-7(2)11-8(3)6-9/h7-9H,4-6H2,1-3H3
InChIKeyFYBBHDBYZAXPQQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds2

About 4-ethoxy-2,6-dimethyloxane

4-ethoxy-2,6-dimethyloxane (PubChem CID 58376118) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-ethoxy-2,6-dimethyloxane.

Molecular Properties

Compound Name4-ethoxy-2,6-dimethyloxane
PubChem CID58376118
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-ethoxy-2,6-dimethyloxane
SMILESCCOC1CC(C)OC(C)C1
InChIInChI=1S/C9H18O2/c1-4-10-9-5-7(2)11-8(3)6-9/h7-9H,4-6H2,1-3H3
InChIKeyFYBBHDBYZAXPQQ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethoxy-2,6-dimethyloxane 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-ethoxy-2,6-dimethyloxane?
The IUPAC name of 4-ethoxy-2,6-dimethyloxane (CID 58376118) is 4-ethoxy-2,6-dimethyloxane.
What is the SMILES notation for 4-ethoxy-2,6-dimethyloxane?
The canonical SMILES for 4-ethoxy-2,6-dimethyloxane is CCOC1CC(C)OC(C)C1.
What is the InChIKey of 4-ethoxy-2,6-dimethyloxane?
The InChIKey is FYBBHDBYZAXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-10-9-5-7(2)11-8(3)6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-2,6-dimethyloxane?
4-ethoxy-2,6-dimethyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,6-dimethyloxane is sourced from PubChem (CID 58376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).