Cas no 1076-12-6 (1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-)
1076-12-6 structure
Product Name:1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-
CAS No:1076-12-6
MF:C12H16
MW:160.255443572998
CID:217775
PubChem ID:10997345
Update Time:2024-03-01
1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4:5,8-Dimethanonaphthalene,1,2,3,4,4a,5,8,8a-octahydro-, (1R,4S,4aR,5S,8R,8aS)-rel-
- 1,4:5,8-Dimethanonaphthalene,1,2,3,4,4a,5,8,8a-octahydro-, (1a,4a,4aa,5a,8a,8aa)-
- 1,4:5,8-Dimethanonaphthalene,1,2,3,4,4a,5,8,8a-octahydro-, endo,endo- (8CI)
- Tetracyclododecene
- Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-4-ene
- 1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro-
- XBFJAVXCNXDMBH-UHFFFAOYSA-N
- Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-9-ene
- 1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene
- tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
- 1,4:5,8-Dimethanonaphthalene, (1 alpha,4 alpha,4a beta,5 alpha,8 alpha,8a beta) 1,2,3,4,4a,5,8,8a-octahydro-
- 1,4:5,8-Dimethanonaphth
-
- Inchi： 1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2
- InChI Key： XBFJAVXCNXDMBH-UHFFFAOYSA-N
- SMILES： C12C3C=CC(C3)C1C1CCC2C1
Computed Properties
- Exact Mass: 160.125201
- Monoisotopic Mass: 160.125201
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 3.5
Experimental Properties
- Density: 1.073
- Boiling Point: 228.8°Cat760mmHg
- Flash Point: 85.4°C
1,4:5,8-Dimethano-naphthalene,1,2,4,4a,8,8,8a-octahydro- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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