2-Isopropenyl-5-methylhex-4-enal
PubChem CID: 110898
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| Compound Synonyms | 2-Isopropenyl-5-methylhex-4-enal, 2-Isopropenyl-5-methyl-4-hexenal, EINECS 229-462-3, 75697-98-2, 5-Methyl-2-isopropenyl-4-hexenal, 5-methyl-2-prop-1-en-2-ylhex-4-enal, (R)-5-Methyl-2-(1-methylvinyl)hex-4-enal, SCHEMBL336894, 2-Isopropenyl-5-methyl-4-hexenal #, 5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-ENAL |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-prop-1-en-2-ylhex-4-enal |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PAIVGFRXYIGODL-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.302 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.915 |
| Compound Name | 2-Isopropenyl-5-methylhex-4-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4665694 |
| Inchi | InChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3 |
| Smiles | CC(=CCC(C=O)C(=C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients