Bicyclo(2.2.1)hept-2-ene, 5-ethyl-
Basic information
- CAS
15403-89-1- Standard SMILES
CCC1CC2C=CC1C2- InChIKey
QHJIJNGGGLNBNJ-UHFFFAOYSA-N- Molecular formula
- C9H14
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 122.10955045
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)hept-2-ene, 5-ethyl-
- IUPAC
- 5-ethylbicyclo[2.2.1]hept-2-ene
- English name
- 5-Ethylbicyclo(2.2.1)-2-heptene
- Molecular formula
- C9H14
- Molecular weight
- 122.21
Names & synonyms
15403-89-1Bicyclo(2.2.1)hept-2-ene, 5-ethyl-Bicyclo[2.2.1]hept-2-ene, 5-ethyl-RefChem:3291615-Ethylbicyclo[2.2.1]hept-2-ene5-ETHYLBICYCLO(2.2.1)-2-HEPTENE5-Ethyl bicyclo[2.2.1]-2-heptene5-ethyl-2-norborneneSCHEMBL109060SCHEMBL1476974SCHEMBL7538173SCHEMBL8510362
Show more names
SCHEMBL8510364SCHEMBL8534070DTXSID509349025-ethylbicyclo[2. 2. 1]hept-2-ene5-Ethylbicyclo[2.2.1]hept-2-ene #
Database identifiers
- CAS
15403-89-1- PubChem CID
- 85837
- DTXSID
DTXSID50934902- Nikkaji
- J1.229.864A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 162.66 °C · 162.66°C (rough estimate)
- Density
- 0.865 · 0.8650 (estimate)
- refractive index
- 1.463 · 1.4630
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-2-ene, 5-ethyl- (15403-89-1)
Related reactions
4 records
Compound notes
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