2,6-dimethyloxane

C7H14O — CID 12708563

IUPAC2,6-dimethyloxane
SMILESCC1CCCC(C)O1
InChIInChI=1S/C7H14O/c1-6-4-3-5-7(2)8-6/h6-7H,3-5H2,1-2H3
InChIKeyWUKRHPLDCANLIP-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.96
Rot. Bonds

About 2,6-dimethyloxane

2,6-dimethyloxane (PubChem CID 12708563) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2,6-dimethyloxane.

Molecular Properties

Compound Name2,6-dimethyloxane
PubChem CID12708563
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2,6-dimethyloxane
SMILESCC1CCCC(C)O1
InChIInChI=1S/C7H14O/c1-6-4-3-5-7(2)8-6/h6-7H,3-5H2,1-2H3
InChIKeyWUKRHPLDCANLIP-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 2,6-dimethyloxane?
The IUPAC name of 2,6-dimethyloxane (CID 12708563) is 2,6-dimethyloxane.
What is the SMILES notation for 2,6-dimethyloxane?
The canonical SMILES for 2,6-dimethyloxane is CC1CCCC(C)O1.
What is the InChIKey of 2,6-dimethyloxane?
The InChIKey is WUKRHPLDCANLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6-4-3-5-7(2)8-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyloxane?
2,6-dimethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloxane is sourced from PubChem (CID 12708563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).