1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-
PubChem CID: 11790334
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| Compound Synonyms | Modephene, (-)-Modhephene, 1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-, APGXRXFCBZKIAN-UHFFFAOYSA-N, 2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene, (1R,2R,5S)-2,6,6,8-Tetramethyltricyclo[3.3.3.01,5]undec-7-ene, 1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, [3aR-(3a.alpha.,4.alpha.,6a.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | APGXRXFCBZKIAN-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.609 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.229 |
| Compound Name | 1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)- |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3452134 |
| Inchi | InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3 |
| Smiles | CC1CCC23C1(CCC2)C(=CC3(C)C)C |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leontopodium Alpinum (Plant) Rel Props:Source_db:cmaup_ingredients