3-Methyl-3-penten-2-one, (3Z)-
PubChem CID: 5357356
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| Compound Synonyms | (Z)-3-Methyl-3-penten-2-one, 79CX19GR5B, 1567-72-2, UNII-79CX19GR5B, 3-Methyl-3-penten-2-one, (3Z)-, 3-Penten-2-one, 3-methyl-, (Z)-, 3-Penten-2-one, 3-methyl-, (3Z)-, 3-Methyl-2-penten-4-one, 3-Methyl-3-pentene-2-one, 3-Penten-2-one, 3-methyl-, NSC-75836, NSC75836, CHEMBL4101963, (3Z)-3-methyl-3-penten-2-one, NS00003901, Q27266747 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-methylpent-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C6H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAMCMCQRTZKGDX-PLNGDYQASA-N |
| Fcsp3 | 0.5 |
| Logs | -0.443 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.881 |
| Compound Name | 3-Methyl-3-penten-2-one, (3Z)- |
| 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 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients