(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol
PubChem CID: 129013708
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| Compound Synonyms | SCHEMBL18721041 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | BJINLEDJBRBSFK-VHSXEESVSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.798 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.676 |
| Compound Name | (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3242686 |
| Inchi | InChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9,3)11/h4-5,8-9,11H,6-7H2,1-3H3/t9-,10+/m0/s1 |
| Smiles | CC(C)[C@@H]1CC=CC[C@@]1(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients