Basic information
- CAS
38310-48-4- Standard SMILES
C=C1C2CCC1C1CC21- InChIKey
SZEDHOXKNCVHIL-UHFFFAOYSA-N- Molecular formula
- C9H12
- Average molar mass
- 120.19 g/mol
- Monoisotopic mass
- 120.09390038
Names & identifiers
- Preferred name
- Tricyclo(3.2.1.02,4)octane, 8-methylene-, (1alpha,2alpha,4alpha,5alpha)-
- IUPAC
- 8-methylidenetricyclo[3.2.1.02,4]octane
- English name
- (1α,2α,4α,5α)-8-Methylenetricyclo[3.2.1.02,4]octane
- Molecular formula
- C9H12
- Molecular weight
- 120.19
Names & synonyms
38310-48-4Tricyclo(3.2.1.02,4)octane, 8-methylene-, (1alpha,2alpha,4alpha,5alpha)-RefChem:385952Tricyclo[3.2.1.0(2,4)]octane, 8-methylene-, (1.alpha.,2.alpha.,4.alpha.,5.alpha.)-Tricyclo[3.2.1.02,4]octane, 8-methylene-, (1.alpha.,2.alpha.,4.alpha.,5.alpha.)-DTXSID50959231SZEDHOXKNCVHIL-UHFFFAOYSA-N8-Methylidenetricyclo[3.2.1.0~2,4~]octane(1alpha,2alpha,4alpha,5alpha)-8-Methylenetricyclo[3.2.1.02,4]octaneTricyclo[3.2.1.0<2,4>]octane, 8-methylene-, (1.alpha.,2.alpha.,4.alpha.,5.alpha.)-(1α,2α,4α,5α)-8-Methylenetricyclo[3.2.1.02,4]octaneTricyclo[3.2.1.02,4]octane, 8-methylene-, (1R,2R,4R,5R)-rel-
Database identifiers
- CAS
38310-48-4- PubChem CID
- 142247
- DTXSID
DTXSID50959231
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 154.9 · 154.9±7.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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