2-Undecen-1-ol, (2E)-
PubChem CID: 5365004
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| Compound Synonyms | trans-2-Undecen-1-ol, 2-Undecen-1-ol, 75039-84-8, 37617-03-1, (E)-undec-2-en-1-ol, (E)-2-undecen-1-ol, 2-Undecen-1-ol, (2E)-, (2E)-2-Undecen-1-ol, 2-Undecen-1-ol, (E)-, 1-Hydroxy-2-undecene, (2E)-UNDEC-2-EN-1-OL, NTG184UJN9, EINECS 253-569-4, AI3-34386, AI3-36047, FEMA NO. 4068, (E)-2-UNDECENE-1-OL, DTXSID70880856, (E)-2-UNDECENOL [FCC], 2-UNDECEN-1-OL [FHFI], 2-UNDECEN-1-OL, TRANS-, 2-undecenol, UNII-NTG184UJN9, DTXSID3068041, trans-Undec-2-en-1-ol, (E)-2-UNDECENOL, SCHEMBL295521, CHEMBL2228467, DTXCID8039372, DTXCID20211590, CHEBI:192123, MBA61703, LMFA05000622, MFCD00014060, AKOS037644154, AS-47571, NS00013323, U0060, F14361, Q27285051 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCC/C=C/CO |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Description | It is used as a food additive |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.2 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-undec-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H22O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SKBIQKQBLQHOSU-MDZDMXLPSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8181818181818182 |
| Rotatable Bond Count | 8.0 |
| Synonyms | (e)-2-undecen-1-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 2-Undecen-1-ol, (2E)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 170.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.9508351999999998 |
| Inchi | InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+ |
| Smiles | CCCCCCCC/C=C/CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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FOUND_INto/from Nerium Odoratum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Nerium Odorum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nerium Tomentosum (Plant) Rel Props:Reference: