(1E)-4-Methyl-1-nitro-1-pentene
Basic information
- CAS
34209-90-0- Standard SMILES
CC(C)C/C=C/[N+](=O)[O-]- InChIKey
CZWSUVQCPWIYID-HWKANZROSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- (1E)-4-Methyl-1-nitro-1-pentene
- IUPAC
- (E)-4-methyl-1-nitropent-1-ene
- English name
- 2-NITRO-2-PENTENE
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
34209-90-0DTXSID401303293(1E)-4-Methyl-1-nitro-1-penteneRefChem:1049383DTXCID101733336trans-4-Methyl-1-nitro-1-pentene(E)-4-methyl-1-nitropent-1-ene4-methyl-1-nitropent-1-ene4-Methyl-1-nitro-pent-1-ene1-Pentene, 4-methyl-1-nitro-, (E)-(1E)-4-methyl-1-nitropent-1-ene(E)-(2-nitrovinyl)isobutane
Show more names
2-NITRO-2-PENTENE(E)-4-Methyl-1-nitro-1-pentene(E)-1-Nitro-4-methyl-1-pentene1-Pentene, 4-methyl-1-nitro-, (1E)-
SCHEMBL4299835CZWSUVQCPWIYID-HWKANZROSA-NEN300-1819570A1-08403
Database identifiers
- CAS
34209-90-0- PubChem CID
- 6445360
- DTXSID
DTXSID401303293- Nikkaji
- J1.102.049F、J69.501G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 20.25 Torr)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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