2-methyl-2-(trideuteriomethoxy)butane

C6H14O — CID 71309614

IUPAC2-methyl-2-(trideuteriomethoxy)butane
SMILES[2H]C([2H])([2H])OC(C)(C)CC
InChIInChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3/i4D3
InChIKeyHVZJRWJGKQPSFL-GKOSEXJESA-N
MW105.20 g/mol
LogP1.82
Rot. Bonds3

About 2-methyl-2-(trideuteriomethoxy)butane

2-methyl-2-(trideuteriomethoxy)butane (PubChem CID 71309614) has the molecular formula C6H14O and a molecular weight of 105.20 g/mol. Its IUPAC name is 2-methyl-2-(trideuteriomethoxy)butane.

Molecular Properties

Compound Name2-methyl-2-(trideuteriomethoxy)butane
PubChem CID71309614
Molecular FormulaC6H14O
Molecular Weight105.20 g/mol
Exact Mass105.12
IUPAC Name2-methyl-2-(trideuteriomethoxy)butane
SMILES[2H]C([2H])([2H])OC(C)(C)CC
InChIInChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3/i4D3
InChIKeyHVZJRWJGKQPSFL-GKOSEXJESA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-(trideuteriomethoxy)butane 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-methyl-2-(trideuteriomethoxy)butane?
The IUPAC name of 2-methyl-2-(trideuteriomethoxy)butane (CID 71309614) is 2-methyl-2-(trideuteriomethoxy)butane.
What is the SMILES notation for 2-methyl-2-(trideuteriomethoxy)butane?
The canonical SMILES for 2-methyl-2-(trideuteriomethoxy)butane is [2H]C([2H])([2H])OC(C)(C)CC.
What is the InChIKey of 2-methyl-2-(trideuteriomethoxy)butane?
The InChIKey is HVZJRWJGKQPSFL-GKOSEXJESA-N. The full InChI is InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3/i4D3.
What are the key properties of 2-methyl-2-(trideuteriomethoxy)butane?
2-methyl-2-(trideuteriomethoxy)butane has a molecular weight of 105.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trideuteriomethoxy)butane is sourced from PubChem (CID 71309614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).