2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
PubChem CID: 102562
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| Compound Synonyms | Isolongifolene, 1135-66-6, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-, 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene, 2,2,7,7-tetramethyltricyclo(6.2.1.01,6)undec-5-ene, Isolongipholene, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-, trans-Isolongifolene, (-)-Isolongifoline, DTXSID90859584, AKOS015901700, F82546, 2,3A-ethanoindan, 3a,4,5,6-tetrahydro-1,1,4,4-tetramethyl-, 1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4a-methanonaphthalene, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S-cis)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQUAYTJDLQBXCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.931 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.728 |
| Compound Name | 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.275913399999999 |
| Inchi | InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3 |
| Smiles | CC1(CCC=C2C13CCC(C3)C2(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients