1-Methoxy-4-methyl-d3-benzene
Basic information
- CAS
14202-49-4- Standard SMILES
[2H]C([2H])([2H])C1CCC(OC)CC1- InChIKey
VBAPYXHNMYKBKN-FIBGUPNXSA-N- Molecular formula
- C8H16O
- Average molar mass
- 131.23 g/mol
- Monoisotopic mass
- 131.13894537
Names & identifiers
- Preferred name
- 1-Methoxy-4-methyl-d3-benzene
- IUPAC
- 1-methoxy-4-(trideuteriomethyl)cyclohexane
- English name
- 4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3
- Molecular formula
- C8H7D3O
- Molecular weight
- 125.18
Names & synonyms
1-Methoxy-4-methyl-d3-benzene1-methoxy-4-(trideuteriomethyl)cyclohexaneDTXSID801619261-methoxy-4-(?H?)methylcyclohexane1-Methoxy-4-(~2~H_3_)methylcyclohexaneMethoxytoluene-α,α,α-D34-Methoxytoluene-α,α,α-d34-Methoxytoluene-a,a,a-d34-Methoxytoluene-α,α,α-d31-Methoxy-4-(2H3)methylbenzeneMethoxytoluene-alpha,alpha,alpha-D34-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3
Database identifiers
- CAS
14202-49-4- PubChem CID
- 139701
- DTXSID
DTXSID80161926
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Physicochemical properties
- solubility
- Chloroform (Slightly)
- form
- Liquid
- color
- Colourless
Chemistry & industry
Applications
Uses4-Methoxytoluene-alpha,alpha,alpha-d3 (CAS# 14202-49-4) is a useful isotopically labeled research compound.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…