Basic information
- CAS
67401-91-6- Standard SMILES
COC1C2CCC1C1C3C=CC(C3)C21- InChIKey
GJMWFDDKCSNSNS-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-10-methoxy-
- IUPAC
- 11-methoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
- English name
- 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-10-methoxy-, stereoisomer
- Molecular formula
- C13H18O
- Molecular weight
- 190.28
Names & synonyms
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-10-methoxy-67401-91-61,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-10-methoxy-, stereoisomerDTXSID3098668167425-33-610-methoxy-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene
Database identifiers
- CAS
67401-91-6、67425-33-6- PubChem CID
- 144243
- DTXSID
DTXSID30986681
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 260.7 · 260.7±29.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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