(+)-Geranyllinalool
PubChem CID: 13118571
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| Compound Synonyms | (+)-Geranyllinalool, Geranyllinalool, (+)-, UNII-J5TL18A54U, J5TL18A54U, 157008-64-5, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (3S,6E,10E)-, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (S-(E,E))-, Q27281233 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C20H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQDXAJNQKSIPGB-WAYIDIRISA-N |
| Fcsp3 | 0.6 |
| Logs | -7.252 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.325 |
| Compound Name | (+)-Geranyllinalool |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.1894442 |
| Inchi | InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+/t20-/m1/s1 |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CC[C@@](C)(C=C)O)/C)/C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients