1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-
Basic information
- CAS
21681-47-0- Standard SMILES
CC1CC2CC1C1C3C=CC(C3)C21- InChIKey
FMZITCJWMYHQFG-UHFFFAOYSA-N- Molecular formula
- C13H18
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.14085057
Names & identifiers
- Preferred name
- 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-
- IUPAC
- 9-methyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
- English name
- 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-1,4:5,8-dimethanonaphthalene
- Molecular formula
- C13H18
- Molecular weight
- 174.28
Names & synonyms
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-DTXSID00885177RefChem:417047DTXCID5087625221681-47-02-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene1,4:5,8-dimethanonaphthalene,1,2,3,4,4a,5,8,8a-octahydro-2-methyl-EINECS 244-528-18-Methyltetracyclododecene1,2,3,4,4a,5,8,8a-Octahydro-2-methyl-1,4:5,8-dimethanonaphthaleneSCHEMBL49758DTXSID50275862
Show more names
9-Methyltetracyclo[6.2.1.13,6.02,7]dodeca-4-ene5-Methyltetracyclo[6.2.1.13,6.02,7]dodeca-9-ene
FMZITCJWMYHQFG-UHFFFAOYSA-NNS00051189224187-36-4
Database identifiers
- CAS
21681-47-0、224187-36-4- PubChem CID
- 89528
- DTXSID
DTXSID00885177- EC Number
- 244-528-1
- Nikkaji
- J225.414J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl- (21681-47-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-: INACTIVE
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Related reactions
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Compound notes
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