2-Methyl-2-butene-1,1,1-D3
Basic information
- CAS
69432-94-6- Standard SMILES
[2H]C([2H])([2H])/C(C)=C/C- InChIKey
BKOOMYPCSUNDGP-VJQHGIKRSA-N- Molecular formula
- C5H10
- Average molar mass
- 73.15 g/mol
- Monoisotopic mass
- 73.09708056
Names & identifiers
- Preferred name
- 2-Methyl-2-butene-1,1,1-D3
- IUPAC
- (E)-1,1,1-trideuterio-2-methylbut-2-ene
Names & synonyms
2-METHYL-2-BUTENE-1,1,1-D369432-94-6
Database identifiers
- CAS
69432-94-6- PubChem CID
- 50540
- Nikkaji
- J742.999A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 38
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Compound notes
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