[(1S,2S,5R,9S)-10,10-dimethyl-6-methylidene-2-tricyclo[7.1.1.01,5]undecanyl]methanol
PubChem CID: 162905952
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(1S,2S,5R,9S)-10,10-dimethyl-6-methylidene-2-tricyclo[7.1.1.01,5]undecanyl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | BVQAARKEKMVAKI-KYEXWDHISA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.008 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.479 |
| Compound Name | [(1S,2S,5R,9S)-10,10-dimethyl-6-methylidene-2-tricyclo[7.1.1.01,5]undecanyl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3137072 |
| Inchi | InChI=1S/C15H24O/c1-10-4-5-11-8-15(14(11,2)3)12(9-16)6-7-13(10)15/h11-13,16H,1,4-9H2,2-3H3/t11-,12+,13+,15+/m0/s1 |
| Smiles | CC1([C@H]2CCC(=C)[C@@H]3[C@@]1(C2)[C@H](CC3)CO)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Araucaria Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cussonia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients