Rhodinol
PubChem CID: 81263
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| Compound Synonyms | Rhodinol, 6812-78-8, (3S)-3,7-dimethyloct-7-en-1-ol, 7-Octen-1-ol, 3,7-dimethyl-, (S)-, FEMA No. 2980, (S)-3,7-Dimethyl-7-octen-1-ol, (-)-Rhodinol, 7-Octen-1-ol, 3,7-dimethyl-, (3S)-, (S)-3,7-dimethyloct-7-en-1-ol, (3S)-3,7-Dimethyl-7-octen-1-ol, 7-Octen-1-ol,3,7-dimethyl-, (3S)-, 1-citronellol, 1V437W60X9, Rhodinol (natural), Rhodinol, (-)-, (-)-.alpha.-Citronellol, alpha-Citronellol, (-)-, (-)-alpha-citronellol, EINECS 229-887-4, floral, lcitronellol, powdery, Geranium, rose fragrance, petal fresh, red rose, leavo citronellol, UNII-1V437W60X9, S-(-)-3,7-Dimethyl-7-octen-1-ol, 3,7-Dimethyl-7-octen-1-ol-, (S)-, Rhodinol Ex Citronella, RHODINOL [FHFI], RHODINOL [FCC], RHODINOL [MI], 3(S)-CITRONELOL, natural citronella fractions, RHODINOL (CHEMICAL), (S)-ALPHA-CITRONELLOL, SCHEMBL1245695, CHEMBL3182701, DTXSID1047233, 7-Octen-1-ol,3,7-dimethyl-, (S)-3,7-DIMETHYL-7-OCTENOL, 3,7-Dimethyl-(6- or 7-)octen-1-ol, NS00013172, Q387993 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3,7-dimethyloct-7-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JGQFVRIQXUFPAH-JTQLQIEISA-N |
| Fcsp3 | 0.8 |
| Logs | -2.422 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.04 |
| Compound Name | Rhodinol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6241678 |
| Inchi | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1 |
| Smiles | C[C@@H](CCCC(=C)C)CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Violaceum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Caulerpa Serrulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Delphinium Shawurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Fagraea Gracilipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Gutierrezia Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Helichrysum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Iryanthera Paraensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Lathyrus Nissolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Leonurus Persicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Magnolia Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Peltogyne Porphyrocardia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Pinus Brutia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ratibida Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all