(1R,2R,4S)-limonene-1,2-diol
PubChem CID: 11217495
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| Compound Synonyms | (1R,2R,4S)-limonene-1,2-diol, (1R,2R,4S)-menth-8-ene-1,2-diol, CHEBI:50244, (1R,2R,4S)-4-isopropenyl-1-methylcyclohexane-1,2-diol, (1R,2R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol, (1R,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol, SCHEMBL10776521, C19082, Q27121996, (1R,2R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol, (1R,2R,4S)-menth-8-ene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WKZWTZTZWGWEGE-IVZWLZJFSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.661 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.192 |
| Compound Name | (1R,2R,4S)-limonene-1,2-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7997623999999999 |
| Inchi | InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1 |
| Smiles | CC(=C)[C@H]1CC[C@@]([C@@H](C1)O)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients