(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
PubChem CID: 11105550
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| Compound Synonyms | 22972-51-6, (1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol, cis-Isolimonenol, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1S,4R)-, (1S,4R)-p-Mentha-2,8-dien-1-ol, (+)-(1S,4R)-p-Mentha-2,8-dien-1-ol, 2,8-P-Menthadien-1-ol, cis-(+)-, (1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol, (+)-p-Mentha-2,8-dien-1-ol, (+)-cis-p-Mentha-2,8-dien-1-ol, (1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol, (1S,4R)-4-Isopropenyl-1-methylcyclohex-2-en-1-ol, MFCD08460036, 1EOK52ZYQH, FEMA No. 4411, cis-(+)-, (1S,4R)-p-Menth-2,8-dien-1-ol, cis-(+)-2,8-p-menthadien-1-ol, rel-(1S,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-enol, (1S,4R)-1-METHYL-4-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-OL, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1S-cis)-, UNII-1EOK52ZYQH, p-Mentha-2,8-dien-1-beta-ol, SCHEMBL1114907, cis-p-Mentha-2,8-diene 1-ol, DTXSID50177519, CHEBI:171955, MKPMHJQMNACGDI-VHSXEESVSA-N, BCP12523, CS-M3276, FD7167, AKOS006288260, DS-4115, FI35527, AC-26319, HY-41094, P-MENTHA-2,8-DIEN-1-.BETA.-OL, EN300-7353864, P-MENTHA-2,8-DIEN-1-OL, (1S,4R)-, A846922, (1S,4R)-4-Isoprenyl-1-methylcyclohex-2-en-1-ol, Q27252332, 805-440-4 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Isolated from gingergrass (Cymbopogon) and Citrus oils. (1S,4R)-p-Mentha-2,8-dien-1-ol is found in many foods, some of which are sweet bay, spearmint, wild celery, and citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MKPMHJQMNACGDI-VHSXEESVSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.393 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | 1.557 |
| Synonyms | (+)-cis-p-Mentha-2,8-dien-1-ol |
| Compound Name | (1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2298694 |
| Inchi | InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@](C=C1)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients