3-Buten-2-ol
PubChem CID: 11716
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| Compound Synonyms | 3-BUTEN-2-OL, 598-32-3, but-3-en-2-ol, 1-Buten-3-ol, Methyl vinylcarbinol, 3-Butene-2-ol, 3-Hydroxy-1-butene, Propenol, 1-methyl, Methyl vinyl carbinol, 1-Methyl-2-propenol, 1-Methylallyl alcohol, alpha-Methylallyl alcohol, EINECS 209-929-8, NSC 17481, BRN 1361410, AI3-28424, MFCD00004543, DTXSID00862266, 3-01-00-01892 (Beilstein Handbook Reference), 3Hydroxy1butene, 1Methyl2propenol, 3Butene2ol, Methylvinylcarbinol, 1Buten3ol, But3en2ol, Propenol, 1methyl, 1Methylallyl alcohol, 1-butene-3-ol, 2-hydroxy-3-butene, but-1-en-3-ol, alphaMethylallyl alcohol, CH2=CHCH(OH)CH3, (2R)-3-Buten-2-ol, 3-Buten-2-ol, 97%, (R/S)-but-3-en-2-ol, WLN: QY1&U2, (+/-)-3-buten-2-ol, DTXCID60811058, 3-Buten-2-ol, analytical standard, NSC17481, MFCD01320812, NSC-17481, AKOS005206749, FB15773, FB177024, SY295900, DB-000893, B0695, CS-0226550, NS00042811, 3-Buten-2-ol 100 microg/mL in Acetonitrile, EN300-123730, W13854, 209-929-8 |
|---|---|
| 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 | CCC=C))O |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 32.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | but-3-en-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O |
| Inchi Key | MKUWVMRNQOOSAT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-buten-2-ol |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO |
| Compound Name | 3-Buten-2-ol |
| Exact Mass | 72.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 72.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 72.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3 |
| Smiles | CC(C=C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
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