trans-1-Butyl-2-methylcyclopropane
Basic information
- CAS
38851-70-6- Standard SMILES
CCCC[C@@H]1C[C@H]1C- InChIKey
IWTBNPKBPXCCIV-HTQZYQBOSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- trans-1-Butyl-2-methylcyclopropane
- IUPAC
- cis-(1R,2R)-1-butyl-2-methylcyclopropane
Names & synonyms
trans-1-Butyl-2-methylcyclopropane1-Butyl-2-methylcyclopropane1-Butyl-2-methylcyclopropane, (E)-38851-70-6SCHEMBL31274418IWTBNPKBPXCCIV-HTQZYQBOSA-NDTXSID601043465rel-(1R,2R)-1-Butyl-2-methylcyclopropane
Database identifiers
- CAS
38851-70-6- PubChem CID
- 6432402
- DTXSID
DTXSID601043465- Nikkaji
- J776.965B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety & protection
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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