Basic information
- CAS
31053-85-7- Standard SMILES
CC1CC=C(I)CC1- InChIKey
QHNQNBLJZFTYJF-UHFFFAOYSA-N- Molecular formula
- C7H11I
- Average molar mass
- 222.07 g/mol
- Monoisotopic mass
- 221.99055
Names & identifiers
- Preferred name
- 1-Iodo-4-methylcyclohexene
- IUPAC
- 1-iodo-4-methylcyclohexene
- English name
- 1-Iodo-4-methyl-1-cyclohexene
- Molecular formula
- C7H11I
- Molecular weight
- 222.07
Names & synonyms
1-Iodo-4-methylcyclohexeneCyclohexene, 1-iodo-4-methyl-31053-85-7DTXSID10340505RefChem:76089DTXCID90291586QHNQNBLJZFTYJF-UHFFFAOYSA-N1-iodo-4-methylcyclohex-1-eneSCHEMBL138218051-Iodo-4-methyl-1-cyclohexene #1-Iodo-4-methyl-1-cyclohexene
Database identifiers
- CAS
31053-85-7- PubChem CID
- 565319
- DTXSID
DTXSID10340505- Nikkaji
- J113.107I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 90 · 90-95 °C(Press: 36 Torr)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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