2-Butanol-d
Basic information
- CAS
4712-39-4- Standard SMILES
[2H]OC(C)CC- InChIKey
BTANRVKWQNVYAZ-UICOGKGYSA-N- Molecular formula
- C4H10O
- Average molar mass
- 75.13 g/mol
- Monoisotopic mass
- 75.07944168
Names & identifiers
- Preferred name
- 2-Butanol-d
- IUPAC
- 2-deuteriooxybutane
- English name
- 2-(2H)Hydroxybutane
- Molecular weight
- 0
Names & synonyms
4712-39-42-Butanol-DRefChem:10625202-BUTANOL (D)2-(2H)HydroxybutaneButan-2-(~2~H)olSCHEMBL29646032DTXSID209637492-Butanol-d1Butane-2-(2H)ol(O-2H)-2-Butanol
Database identifiers
- CAS
4712-39-4- PubChem CID
- 20837
- DTXSID
DTXSID20963749- Nikkaji
- J375.182A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 19.6
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Related reactions
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Compound notes
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