(2R,4R)-2,4-dimethyloxane

C7H14O — CID 13499612

IUPAC(2R,4R)-2,4-dimethyloxane
SMILESC[C@@H]1CCO[C@H](C)C1
InChIInChI=1S/C7H14O/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyFPQOQDFWCJXVKF-RNFRBKRXSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds

About (2R,4R)-2,4-dimethyloxane

(2R,4R)-2,4-dimethyloxane (PubChem CID 13499612) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2R,4R)-2,4-dimethyloxane.

Molecular Properties

Compound Name(2R,4R)-2,4-dimethyloxane
PubChem CID13499612
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2R,4R)-2,4-dimethyloxane
SMILESC[C@@H]1CCO[C@H](C)C1
InChIInChI=1S/C7H14O/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyFPQOQDFWCJXVKF-RNFRBKRXSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4R)-2,4-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 (2R,4R)-2,4-dimethyloxane?
The IUPAC name of (2R,4R)-2,4-dimethyloxane (CID 13499612) is (2R,4R)-2,4-dimethyloxane.
What is the SMILES notation for (2R,4R)-2,4-dimethyloxane?
The canonical SMILES for (2R,4R)-2,4-dimethyloxane is C[C@@H]1CCO[C@H](C)C1.
What is the InChIKey of (2R,4R)-2,4-dimethyloxane?
The InChIKey is FPQOQDFWCJXVKF-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14O/c1-6-3-4-8-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-2,4-dimethyloxane?
(2R,4R)-2,4-dimethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4-dimethyloxane is sourced from PubChem (CID 13499612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).