rel-(1R,4S,4aR,5S,8R,8aS)-1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene

CAS Registry Number®

1076-12-6

CAS Name

rel-(1R,4S,4aR,5S,8R,8aS)-1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene

Molecular Formula

C12H16

Molecular Mass

160.26

Cite this Page

rel-(1R,4S,4aR,5S,8R,8aS)-1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1076-12-6 (retrieved 2025-01-05) (CAS RN: 1076-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    78 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2/t7-,8+,9+,10-,11+,12-

InChIKey

InChIKey=XBFJAVXCNXDMBH-WAODVVSYNA-N

SMILES

[C@]12([C@@]([C@]3(C[C@@]1(C=C3)[H])[H])([C@@]4(C[C@]2(CC4)[H])[H])[H])[H]

Canonical SMILES

C1=CC2CC1C3C4CCC(C4)C23

Other Names for this Substance

  • 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-, endo,endo-
  • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-, (1α,4α,4aα,5α,8α,8aα)-
  • rel-(1R,4S,4aR,5S,8R,8aS)-1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene

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