(S)-3-cyclohexene-1-methanol
PubChem CID: 12299191
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| Compound Synonyms | (S)-3-cyclohexene-1-methanol, SCHEMBL7873210, [(1S)-cyclohex-3-en-1-yl]methanol, AKOS026675697, TS-01564 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1S)-cyclohex-3-en-1-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C7H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEIYJWQZNGASMA-SSDOTTSWSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -0.96 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.41 |
| Compound Name | (S)-3-cyclohexene-1-methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2947663999999999 |
| Inchi | InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2/t7-/m1/s1 |
| Smiles | C1C[C@@H](CC=C1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients