3,4-dimethoxy-2,5-dimethylhexane

C10H22O2 — CID 22950272

IUPAC3,4-dimethoxy-2,5-dimethylhexane
SMILESCOC(C(C)C)C(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-7(2)9(11-5)10(12-6)8(3)4/h7-10H,1-6H3
InChIKeyUFMPQHWYHQFOPZ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.33
Rot. Bonds5

About 3,4-dimethoxy-2,5-dimethylhexane

3,4-dimethoxy-2,5-dimethylhexane (PubChem CID 22950272) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,4-dimethoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name3,4-dimethoxy-2,5-dimethylhexane
PubChem CID22950272
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,4-dimethoxy-2,5-dimethylhexane
SMILESCOC(C(C)C)C(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-7(2)9(11-5)10(12-6)8(3)4/h7-10H,1-6H3
InChIKeyUFMPQHWYHQFOPZ-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethoxy-2,5-dimethylhexane 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 3,4-dimethoxy-2,5-dimethylhexane?
The IUPAC name of 3,4-dimethoxy-2,5-dimethylhexane (CID 22950272) is 3,4-dimethoxy-2,5-dimethylhexane.
What is the SMILES notation for 3,4-dimethoxy-2,5-dimethylhexane?
The canonical SMILES for 3,4-dimethoxy-2,5-dimethylhexane is COC(C(C)C)C(OC)C(C)C.
What is the InChIKey of 3,4-dimethoxy-2,5-dimethylhexane?
The InChIKey is UFMPQHWYHQFOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7(2)9(11-5)10(12-6)8(3)4/h7-10H,1-6H3.
What are the key properties of 3,4-dimethoxy-2,5-dimethylhexane?
3,4-dimethoxy-2,5-dimethylhexane has a molecular weight of 174.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2,5-dimethylhexane is sourced from PubChem (CID 22950272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).