(4aS,8aS)-8-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene
PubChem CID: 21626533
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 680.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4aS,8aS)-8-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 9.4 |
| Molecular Formula | C30H50 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZGUCDDZQIFCSE-SRPPIYJJSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -6.76 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.824 |
| Compound Name | (4aS,8aS)-8-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 410.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.135726 |
| Inchi | InChI=1S/C30H50/c1-21-11-15-25-27(3,4)17-9-19-29(25,7)23(21)13-14-24-22(2)12-16-26-28(5,6)18-10-20-30(24,26)8/h25-26H,9-20H2,1-8H3/t25-,26-,29+,30+/m0/s1 |
| Smiles | CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CCC3=C(CC[C@@H]4[C@@]3(CCCC4(C)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lemmaphyllum Microphyllum (Plant) Rel Props:Source_db:cmaup_ingredients