2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol
PubChem CID: 11074989
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| Compound Synonyms | CHEMBL4758511 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | AXUFTLZFRGHJAV-CMPLNLGQSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -1.895 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.885 |
| Compound Name | 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0931064 |
| Inchi | InChI=1S/C15H26O/c1-10-6-7-11-12(10)8-14(2,3)9-13(11)15(4,5)16/h10,12,16H,6-9H2,1-5H3/t10-,12+/m0/s1 |
| Smiles | C[C@H]1CCC2=C(CC(C[C@H]12)(C)C)C(C)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients