Tricyclo(4.2.0.02,5)octane, anti-
Basic information
- CAS
13027-75-3- Standard SMILES
C1CC2C1C1CCC21- InChIKey
YTZCZYFFHKYOBJ-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Names & identifiers
- Preferred name
- Tricyclo(4.2.0.02,5)octane, anti-
- IUPAC
- tricyclo[4.2.0.02,5]octane
- English name
- Tricyclo(4.2.0.02,5)octane, anti-
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
Tricyclo(4.2.0.02,5)octane, anti-Tricyclo[4.2.0.02,5]octane13027-75-3Tricyclo(4.2.0.02,5)octane, syn-Tricyclo[4.2.0.02,5]octane, syn-Tricyclo[4.2.0.02,5]octane, anti-SCHEMBL10066089SCHEMBL14878950SCHEMBL19860622DTXSID40926659DTXSID401047378tricyclo[4,2,0,0 2,5]octane
Show more names
Tricyclo[4.2.0.02,5]octane, (1R,2R,5S,6S)-rel-
28636-10-4(1R,2R,5S,6S)-Tricyclo[4.2.0.0~2,5~]octanerel-(1R,2R,5S,6S)-Tricyclo[4.2.0.02,5]octane277-08-7
Database identifiers
- CAS
13027-75-3、277-08-7、28636-10-4- PubChem CID
- 139367
- DTXSID
DTXSID401047378- Nikkaji
- J1.927.262A、J1.927.267B、J558.467A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96
Physicochemical properties
- Boiling point
- 136.6 · 136.6±7.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…