(1S,4S,4aS,8aS)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
PubChem CID: 163034278
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 256.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,4S,4aS,8aS)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | False |
| Molecular Formula | C14H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | GIOSSFCGQAGYSG-XUXIUFHCSA-N |
| Fcsp3 | 0.8571428571428571 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (1S,4S,4aS,8aS)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 208.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 208.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2266390000000005 |
| Inchi | InChI=1S/C14H24O/c1-10(2)11-8-9-14(3,15)13-7-5-4-6-12(11)13/h4,6,10-13,15H,5,7-9H2,1-3H3/t11-,12-,13-,14-/m0/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]([C@@H]2[C@H]1C=CCC2)(C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taiwania Cryptomerioides (Plant) Rel Props:Source_db:cmaup_ingredients