(1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol
PubChem CID: 12314336
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| Compound Synonyms | trans-(-)-Piperitol, p-Menth-1-en-3-ol, trans-(-)-, 25437-28-9, trans-(-)-p-Menth-1-en-3-ol, Piperitol (monoterpene), trans-(-)-, UNII-20R217016A, p-Menth-1-en-3-ol, (3S,4S)-(-)-, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1S,6S)-, (1S,6S)-6-Isopropyl-3-methyl-cyclohex-2-en-1-ol, 20R217016A, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1S-trans)-, (1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol, trans-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-ol, E-Piperitol, Piperitol, trans-, 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, (E)-, (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel-, DTXSID20180095, (-)-trans-p-Menth-1-en-3-ol, (3S,4S)-(-)-p-Menth-1-en-3-ol, NS00085300, EN300-25922422, Q27253484, 859-619-7 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Isolated from essential oils of Mentha and Eucalyptus subspecies trans-(-)-p-Menth-1-en-3-ol is found in mentha (mint) and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | HPOHAUWWDDPHRS-VHSXEESVSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.231 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.94 |
| Synonyms | (-)-trans-p-Menth-1-en-3-ol, (3S,4S)-(-)-p-Menth-1-en-3-ol, trans-(-)-p-Menth-1-en-3-ol, trans-(-)-Piperitol, (-)-trans-P-Menth-1-en-3-ol, (3S,4S)-(-)-P-Menth-1-en-3-ol |
| Compound Name | (1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol |
| Kingdom | Organic compounds |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.0722686 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1 |
| Smiles | CC1=C[C@H]([C@@H](CC1)C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all