2-Pentyn-1-ol
PubChem CID: 80421
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| Compound Synonyms | 2-Pentyn-1-ol, 6261-22-9, pent-2-yn-1-ol, 2-pentynol, 2-Pentyne-1-ol, EINECS 228-411-2, MFCD00040915, AI3-37254, DTXSID0064177, 2-Pentyn-1-ol, 98%, 2-Pentynyl alcohol, A2E2Y3AQD6, DTXCID4043430, ALBB-031790, AKOS015837601, LS-11579, SY048461, DB-073158, CS-0143646, NS00035098, P0815, EN300-131560, F19221, 228-411-2 |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | CCC#CCO |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.4 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pent-2-yn-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -0.132 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.775 |
| Synonyms | 2-pentyn-1-ol |
| Esol Class | Very soluble |
| Functional Groups | CC#CC, CO |
| Compound Name | 2-Pentyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -0.7395315999999998 |
| Inchi | InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3 |
| Smiles | CCC#CCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
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