1-(Hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol
PubChem CID: 126863
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| Compound Synonyms | 4-Menthane-1,7,8-triol, 1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol, 145385-69-9, cis-p-menthane-1,7,8-triol, SCHEMBL562197, DTXSID20163000, CHEBI:171756, DTXSID501210982, 1,4-Cyclohexanedimethanol, 1-hydroxy-alpha4,alpha4-dimethyl-, cis-1-Hydroxy-I+/-4,I+/-4-dimethyl-1,4-cyclohexanedimethanol, 154843-72-8 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Description | Constituent of Foeniculum vulgare (fennel). cis-p-Menthane-1,7,8-triol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Is Pains | False |
| Molecular Formula | C10H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TVWCVYDBLMOUAI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Synonyms | p-Menthane-1,7,8-triol, cis-form |
| Compound Name | 1-(Hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9634554000000001 |
| Inchi | InChI=1S/C10H20O3/c1-9(2,12)8-3-5-10(13,7-11)6-4-8/h8,11-13H,3-7H2,1-2H3 |
| Smiles | CC(C)(C1CCC(CC1)(CO)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients