Geranyllinalool
PubChem CID: 5365872
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| Compound Synonyms | Geranyl linalool, Geranyllinalool, 1113-21-9, 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol, (E,E)-geranyllinalool, (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol, 3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E,10E)-, (6E,10E)-geranyllinalool, 68931-30-6, Geranyl linallol, UNII-VV41XXJ67L, EINECS 214-201-8, Linalool, geranyl-, (E,E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol, (6E,10E)-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol, VV41XXJ67L, (+/-)-GERANYLLINALOOL, CHEBI:74299, DTXSID70883645, E,E-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-, GERANYL LINALOOL, (+/-)-, Geranyl-linalool, 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-Tetramethyl-1,6,10,14-cetene-3-ol, 3,7,11,15-Tetramethyl-3-hydroxy-1,6,10,14-hexadecatetraene, , MFCD00059363, SCHEMBL249658, DTXCID00909160, BCP05146, AKOS015901111, BCP9000724, CS-W012189, FG32735, DS-14927, Geranyllinalool, technical, >=95% (GC), G0221, NS00012501, C20681, D78106, SR-01000944850, SR-01000944850-1, Q27144589, (6e,6e)-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol, (3R,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol, (6E,10E)-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol #, 416-070-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCCC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))O)C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQDXAJNQKSIPGB-HQSZAHFGSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.6 |
| Logs | -5.317 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.841 |
| Synonyms | (e,e)-geranyl linalool, (e,e)-geranyl-linalool, geranyl linalool, geranyllinalol, geranyllinalool, linalool,geranyl |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C=CC, CC=C(C)C, CO |
| 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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| 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+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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