Sorbic alcohol
PubChem CID: 641256
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| Compound Synonyms | trans,trans-2,4-Hexadien-1-ol, 2,4-HEXADIEN-1-OL, 17102-64-6, Sorbic alcohol, (2E,4E)-hexa-2,4-dien-1-ol, Sorbyl alcohol, 111-28-4, Hexacose, (E,E)-2,4-Hexadien-1-ol, Hexakose, Sorbinic alcohol, 2,4-Hexadienol, Hexadenol, Hexene-ol, 1-Hydroxy-2,4-hexadiene, 1-Hydroxy-2,4-hexadien, (E,E)-Hexa-2,4-dien-1-ol, 2,4-Hexadien-1-ol, (E,E)-, 2,4-Hexadien-1-ol, (2E,4E)-, (2E,4E)-2,4-Hexadien-1-ol, EINECS 203-853-9, 11CF2E3HNG, DTXSID3047631, AI3-30249, trans-2,4-Hexadienol, 2,4-Hexadiene-1-ol, EINECS 241-173-4, MFCD00002925, n-Hexa-2,4-dien-1-ol, SORBIC ALCOHOL [MI], (2E,4E)-2,4-hexadienol, DTXCID1027631, FEMA NO. 3922, CHEBI:142625, 2,4-HEXADIEN-1-OL [FHFI], UNII-11CF2E3HNG, DTXSID8047632, Sorbinalkohol, Hexeneol, 2,4Hexadienol, 2,4Hexadien1ol, 1Hydroxy2,4hexadiene, trans,trans-2,4-hexadien-ol, CHEMBL3187813, DTXCID6027632, (e, e)-hexa-2,4-dien-1-ol, Trans,trans-hexa-2,4-dien-1-ol, Tox21_302548, AKOS015901029, CS-W018413, FH02735, HY-W017690, trans,trans-2,4-Hexadien-1-ol, 97%, NCGC00256628-01, FH172785, CAS-17102-64-6, H0478, NS00012533, D77844, EN300-170512, EN300-342426, Q27251317, trans,trans-2,4-Hexadien-1-ol, >=97%, stabilized, FG, trans,trans-2,4-Hexadien-1-ol - stabilized with ?-tocopherol, 241-173-4 |
|---|---|
| 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 | Fatty alcohols |
| Deep Smiles | C/C=C/C=C/CO |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-hexa-2,4-dien-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O |
| Inchi Key | MEIRRNXMZYDVDW-MQQKCMAXSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,4-hexadien-1-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C=C/C, CO |
| Compound Name | Sorbic alcohol |
| Exact Mass | 98.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 98.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+ |
| Smiles | C/C=C/C=C/CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279