3-methoxy-2,2,5,5-tetramethylhexane

C11H24O — CID 12756025

IUPAC3-methoxy-2,2,5,5-tetramethylhexane
SMILESCOC(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-10(2,3)8-9(12-7)11(4,5)6/h9H,8H2,1-7H3
InChIKeyHXEOESMYAARHLX-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.48
Rot. Bonds2

About 3-methoxy-2,2,5,5-tetramethylhexane

3-methoxy-2,2,5,5-tetramethylhexane (PubChem CID 12756025) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-methoxy-2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name3-methoxy-2,2,5,5-tetramethylhexane
PubChem CID12756025
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-methoxy-2,2,5,5-tetramethylhexane
SMILESCOC(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-10(2,3)8-9(12-7)11(4,5)6/h9H,8H2,1-7H3
InChIKeyHXEOESMYAARHLX-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methoxy-2,2,5,5-tetramethylhexane 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-methoxy-2,2,5,5-tetramethylhexane?
The IUPAC name of 3-methoxy-2,2,5,5-tetramethylhexane (CID 12756025) is 3-methoxy-2,2,5,5-tetramethylhexane.
What is the SMILES notation for 3-methoxy-2,2,5,5-tetramethylhexane?
The canonical SMILES for 3-methoxy-2,2,5,5-tetramethylhexane is COC(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-methoxy-2,2,5,5-tetramethylhexane?
The InChIKey is HXEOESMYAARHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-10(2,3)8-9(12-7)11(4,5)6/h9H,8H2,1-7H3.
What are the key properties of 3-methoxy-2,2,5,5-tetramethylhexane?
3-methoxy-2,2,5,5-tetramethylhexane has a molecular weight of 172.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,5,5-tetramethylhexane is sourced from PubChem (CID 12756025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).