3-Methyl-2-penten-4-one
PubChem CID: 5364579
Connections displayed (default: 10).
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| Compound Synonyms | 3-Methyl-3-penten-2-one, (E)-3-methylpent-3-en-2-one, 1567-73-3, (E)-3-methyl-3-penten-2-one, 3-METHYL-3-PENTEN-2-OL, JBR4O01DB2, 3-Methyl-2-penten-4-one, 3-Penten-2-one, 3-methyl-, 3-Methyl-3-penten-2-one, (3E)-, 3-Penten-2-one, 3-methyl-, (E)-, 3-Penten-2-one, 3-methyl-, (3E)-, 3-Methyl-3-pentene-2-one, 2-Acetyl-2-butene, DTXCID3032410, (3E)-3-METHYLPENT-3-EN-2-ONE, UNII-JBR4O01DB2, 3-Methyl-3-penten-2-one #, CHEMBL3184903, CH3CH=C(CH3)C(=O)CH3, DTXSID601045928, (3E)-3-Methyl-3-penten-2-one, (E)-3-methyl-pent-3-en-2-one, Tox21_302357, MFCD00151839, NCGC00255636-01, CAS-565-62-8, M1139, EN300-7424978, A831787, 3-Methyl-3-penten-2-one, technical, >=90% (GC), Q15720544 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-methylpent-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C6H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAMCMCQRTZKGDX-SNAWJCMRSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.443 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.881 |
| Compound Name | 3-Methyl-2-penten-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 98.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.1006989999999999 |
| Inchi | InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4+ |
| Smiles | C/C=C(\C)/C(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
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