2-Methyl-2-pentenal, (2Z)-
PubChem CID: 12376292
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| Compound Synonyms | 2-Methyl-2-pentenal, (2Z)-, UNII-M41Y60O5BZ, 2-Pentenal, 2-methyl-, (2Z)-, M41Y60O5BZ, 16958-22-8, (Z)-2-methylpent-2-enal, FEMA No. 3194, (Z)-, DTXSID30168728, FEMA NO. 3194, Z-, CH3CH2CH=C(CH3)CHO, 2-Methyl-2-pentenoic aldehyde, 2-Methylpent-2-enal, 2,4-Dimethylcrotonaldehyde, 2-Methyl-2-penten-1-al, 2-Methyl-2-pentene-1-al, (2E)-2-Methyl-2-pentenal, alpha-Methyl-beta-ethylacrolein, beta-Ethyl-alpha-methylacrolein, 2-Methylpentenal, 2-Propylidenepropionaldehyde, cis-2-methyl-pent-2-enal, 3-Ethyl-2-methylacraldehyde, (2Z)-2-methyl-2-pentenal, (2Z)-2-methylpent-2-enal, 2-Methyl-(2E)-2-Pentenal, DTXCID6091219, CHEBI:89949, FEMA 3194, alpha -methyl-beta -ethylacrolein, beta -ethyl-alpha -methylacrolein, IDEYZABHVQLHAF-XQRVVYSFSA-N, alpha -methyl-alpha -methylacrolein, Q27162130 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Constituent of onion (Allium cepa) and chive leaves (Allium schoenoprasum)and is also found in fruits of cranberry, guava, grape, plum, in mustard, cognac, black tea, coffee, roasted peanuts, walnut and other foodstuffs. Flavouring ingredient. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.2 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-methylpent-2-enal |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 1.4 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Molecular Formula | C6H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDEYZABHVQLHAF-XQRVVYSFSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.708 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.646 |
| Synonyms | (2E)-2-Methyl-2-pentenal, (E)-2-Methyl-2-pentenal, &alpha, -methyl-&alpha, -methylacrolein, &alpha, -methyl-&beta, -ethylacrolein, &beta, -ethyl-&alpha, -methylacrolein, 2-Methyl-(2e)-2-pentenal, 2-methyl-(E)-2-pentenal, 2-Methyl-2-penten-1-al, 2-Methyl-2-pentene-1-al, 2-Methyl-2-pentenoic aldehyde, 2-Methyl-3-ethylacrolein, 2-Methylpent-2-enal, 2-Methylpentenal, 2-Pentenal, 2-methyl-, 2-Pentenal, 2-methyl-, (2E)-, 2-Propylidenepropionaldehyde, 2,4-Dimethylcrotonaldehyde, 3-Ethyl-2-methylacraldehyde, alpha -Methyl-alpha -methylacrolein, alpha -Methyl-beta -ethylacrolein, Alpha-methyl-beta-ethylacrolein, beta -Ethyl-alpha -methylacrolein, Beta-ethyl-alpha-methylacrolein, CH3CH2CH=C(CH3)CHO, FEMA 3194, trans-2-Methyl-2-pentenal, (e)-2-Methyl-2-pentenal, 2-Methyl-(2E)-2-pentenal, 2-Methyl-(e)-2-pentenal, alpha-Methyl-beta-ethylacrolein, beta-Ethyl-alpha-methylacrolein, CH3CH2CH=C(CH3)cho |
| Compound Name | 2-Methyl-2-pentenal, (2Z)- |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.1669989999999997 |
| Inchi | InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4- |
| Smiles | CC/C=C(/C)\C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Enals |
- 1. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all