(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol
PubChem CID: 6428574
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| Compound Synonyms | Linaloolpyran oxide d, UNII-N1ME467AVA, N1ME467AVA, cis-linalol pyranoxide, cis-Linalool 3,7-oxide, 24048-52-0, Linalool oxide pyranoid, cis-(+-)-, FEMA No. 4593, cis-(+-)-, (+)-cis-Linalool 3,7-oxide, (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol, 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R,6R)-, 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R-cis)-, (+-)-cis-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran, 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-, (3R,6R)-(+-)-, Linalool oxide D, Linalool 3,7-oxide, cis-, (Z)-Pyranoid linalool oxide, cis-Linalool oxide (pyranoid), Pyranoid linalool oxide, cis-, cis-6-ethenyltetrahydro-2,2,6-trimethylpyran-3-ol, cis-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran, cis-Linalool Oxide, pyranoid, Linalool oxide (Z-pyranoid), cis-Linalol oxide (pyranoid), linalool oxide D (cis-THP), (3R,6R)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol, SCHEMBL309186, cis-(+)-linalool oxide pyranoid, DTXSID60178794, BCTBAGTXFYWYMW-SCZZXKLOSA-N, CHEBI:180228, (+/-)-cis-Pyranoid linalool oxide, FEMA NO. 4593, CIS-(+)-, LINALOOL OXIDE PYRANOID, CIS-(+)-, cis-2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol, cis-3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran, Q27284396, 6-Ethenyltetrahydro-2,2,6-trimethyl-cis-2H-Pyran-3-ol, (+)-cis-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran, (3R,6R)-6-Ethenyltetrahydro-2,2,6-trimethyl-2H-pyran-3-ol, 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-, cis- (8CI), 6-Ethenyltetrahydro-2,2,6-trimethyl-(3R,6R)-rel-2H-Pyran-3-ol, 2H-PYRAN-3-OL, TETRAHYDRO-2,2,6-TRIMETHYL-6-VINYL-, (3R,6R)-(+)- |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | Synthetic [CCD] This is the (+)- isomer of cis pyranoid linalool oxide. [FooDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol |
| Prediction Hob | 1.0 |
| Class | Oxanes |
| Xlogp | 1.4 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BCTBAGTXFYWYMW-SCZZXKLOSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.793 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.196 |
| Synonyms | (+)-cis-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran, (+)-Cis-linalol pyranoxide, (+)-cis-Linalool 3,7-oxide, (3R,6R)-Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran, 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R-cis)-, 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R,6R)-, 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-, (3R,6R)-(+)- (8CI), 6-Ethenyltetrahydro-2,2,6-trimethyl-(3R-cis)-2H-pyran-3-ol, 6-Ethenyltetrahydro-2,2,6-trimethyl-(3R,6R)-2H-pyran-3-ol, (+/-)-cis-pyranoid linalool oxide, (Z)-Pyranoid linalool oxide, 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-, cis- (8ci), 6-ethenyltetrahydro-2,2,6-Trimethyl-(3R,6R)-rel-2H-pyran-3-ol, 6-ethenyltetrahydro-2,2,6-Trimethyl-cis-2H-pyran-3-ol, cis-2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol, cis-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran, cis-3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran, cis-6-ethenyltetrahydro-2,2,6-Trimethylpyran-3-ol, cis-Linalol pyranoxide, cis-Linalool 3,7-oxide, cis-Linalool oxide (pyranoid), cis-Pyran linalool oxide, cis-Pyranoid linalool oxide, Linalool oxide (Z-pyranoid), Linalool oxide D |
| Compound Name | (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol |
| Kingdom | Organic compounds |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -1.7304623999999997 |
| Inchi | InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1 |
| Smiles | C[C@@]1(CC[C@H](C(O1)(C)C)O)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Oxanes |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Adunca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Adiantum Lunulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Alstonia Spathulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Annona Cornifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Artemisia Assoana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Astragalus Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Calostephane Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Caragana Aurantiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Cotyledon Secunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Dumortiera Hirsuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Eucalyptus Melliodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Gnetum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Goniothalamus Malayanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Hedysarum Connatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Helipterum Roseum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Hypericum Laricifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Ipomoea Digitata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
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FOUND_INto/from Lysimachia Mauritiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
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FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
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FOUND_INto/from Premna Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
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FOUND_INto/from Scutellaria Amoena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Solanum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Swertia Franchetiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Vaccinium Oxycoccos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Viguiera Incana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Wikstroemia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tetraspermum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all