8-P-Menthene-1,2-diol, (+)-
PubChem CID: 441246
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| Compound Synonyms | (1S,2S,4R)-Limonene-1,2-diol, Limonene glycol, 38630-75-0, 8-p-Menthene-1,2-diol, FEMA no. 4409, B9MU2A776W, (1S,2S,4R)-p-Menth-8-ene-1,2-diol, 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1S,2S,4R)-, UNII-B9MU2A776W, (+/-)-1-Hydroxyneodihydrocarveol, (1S,2S,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol, (1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol, 8-p-Menthene-1,2-diol, (+/-)-, (+/-)-(1S,2S,4R)-Limonene glycol, (+)-1-Hydroxyneodihydrocarveol, (+/-)-(1S,2S,4R)-Limonene-1,2-diol, (1S,2S,4R)-(+/-)-Limonene-1,2-diol, CHEBI:18515, (+)-(1S,2S,4R)-Limonene glycol, (1S,2S,4R)-menth-8-ene-1,2-diol, 8-P-MENTHENE-1,2-DIOL [FHFI], 8-P-MENTHENE-1,2-DIOL, (+)-, 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1S-(1alpha,2beta,4alpha))-, (+)-(1S,2S,4R)-LIMONENE-1,2-DIOL, (1S,2S,4R)-(+)-Limonene-1,2-diol, (1S,2S,4R)-4-isopropenyl-1-methylcyclohexane-1,2-diol, Limonene diol, d-Limonene-1,2-diol, (1S,2S,4R)-(+)-Limonen-1,2-diol, 8,9-p-Menthen-1,2-diol, SCHEMBL1443876, CHEMBL4213960, (+)-8-p-menthene-1,2-diol, LMPR0102090016, p-Menth-8-ene-1,2-diol (7CI, 8CI), C07276, (1S,2S,4R)-(+)-Limonene-1,2-diol, >=97%, Q27109038, (1S,2S,4R)-(+)-Limonene-1,2-diol, >=97.0% (GC), 1,2-CYCLOHEXANEDIOL, 1-METHYL-4-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,2.BETA.,4.ALPHA.))-, 625-250-3 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,4R)-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-UTLUCORTSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.657 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.17 |
| Compound Name | 8-P-Menthene-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+/m1/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 Acer Triflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dalea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Drimia Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Prunus Cerasoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zaluzianskya Capensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all