(+)-Isopulegol
PubChem CID: 1268090
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| Compound Synonyms | (+)-Isopulegol, 104870-56-6, D-Isopulegol, Isopulegol, (+)-, (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol, (1S,2R,5S)-(+)-Isopulegol, P1786K4KJ2, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S,2R,5S)-, (1S,2R,5S)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-OL, UNII-P1786K4KJ2, (+)-Isopulegol, 99%, SCHEMBL1285993, CHEMBL4454861, DTXSID40146799, EEA87056, (+)-Isopulegol, analytical standard, AKOS015913296, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1S-(1alpha,2beta,5alpha))-, FS-9591, HY-113903, CS-0063299, Q27285994, (1S,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexanol, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,2.BETA.,5.ALPHA.))- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZYTMANIQRDEHIO-AEJSXWLSSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.724 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.753 |
| Compound Name | (+)-Isopulegol |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5888686000000005 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1 |
| Smiles | C[C@H]1CC[C@@H]([C@H](C1)O)C(=C)C |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients