2-Penten-1-ol, (2E)-
PubChem CID: 5364920
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| Compound Synonyms | trans-2-Penten-1-ol, (E)-Pent-2-en-1-ol, 1576-96-1, 2-PENTEN-1-OL, trans-2-pentenol, (E)-2-pentenol, 2-Penten-1-ol, (E)-, 2-Penten-1-ol, (2E)-, 20273-24-9, (2E)-2-Penten-1-ol, 2-pentenol, EINECS 216-416-2, 2-(E)-Penten-1-ol, (E)-2-Penten-1-ol, 5173J66S69, CHEBI:145349, DTXSID90878755, 2-PENTEN-1-OL, TRANS-, (2E)-PENT-2-EN-1-OL, Pent-2(E)-enol, CHEBI:89943, UNII-5173J66S69, trans-pent-2-en-1-ol, (2E)-2-Penten-1-ol #, trans-2-Penten-1-ol, 95%, DTXCID40909189, AKOS009157042, CS-0447465, NS00083237, Q27260874, 216-416-2, 606-484-5 |
|---|---|
| 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 | CC/C=C/CO |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 39.2 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-pent-2-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTSIZIIPFNVMHF-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -6.205 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.979 |
| Synonyms | (e)-2-pentenol, (e)-pent-2-en-1-ol, 2-penten-1-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 2-Penten-1-ol, (2E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -0.7775308 |
| Inchi | InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+ |
| Smiles | CC/C=C/CO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248 - 3. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 4. Outgoing r'ship
FOUND_INto/from Cyphomandra Betacea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554261 - 5. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700131 - 7. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112 - 8. Outgoing r'ship
FOUND_INto/from Tinospora Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831568