2-Isopropyl-5-methyl-hex-2-enal, (2E)-
PubChem CID: 5362661
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| Compound Synonyms | 2-Isopropyl-5-methyl-2-hexenal, 2-Isopropyl-5-methylhex-2-enal, 35158-25-9, 69104-96-7, FEMA no. 3406, E-, 2-Isopropyl-5-methyl-hex-2-enal, (2E)-, UNII-FI8O66176J, (E)-2-Isopropyl-5-methyl-hex-2-enal, FI8O66176J, (E)-2-(1-Methylethyl)-5-methylhex-2-enal, Isodihydroavandulyl aldehyde, 2-Hexenal, 5-methyl-2-(1-methylethyl)-, (E)-, 2-Hexenal, 5-methyl-2-(1-methylethyl)-, (2E)-, (E)-5-methyl-2-propan-2-ylhex-2-enal, DTXSID30219168, Isodihydrolavandulyl aldehyde, (E)-2-isopropyl-5-methylhex-2-enal, alpha-Isopropyl-beta-isobutylacrolein, (2E)-5-methyl-2-(propan-2-yl)hex-2-enal, 2-Isopropyl-5-methyl-2-hexen-1-al, 5-Methyl-2-(1-methylethyl)-2-hexenal, (e)-2-isopropyl-5-methyl-2-hexenal, FEMA No. 3406, 2-Hexenal, 2-isopropyl-5-methyl-, EINECS 252-406-4, UNII-7F8Q5STQ11, 2-Hexen-1-al, 5-methyl-2-(1-methylethyl)-, Isodehydrolavandulal, cis-5-Methyl-2-isopropyl-2-hexen-1-al, 2-HEXEN-1-AL, 2-ISOPROPYL-5-METHYL-, SCHEMBL459467, 7F8Q5STQ11, DTXCID50141659, AKOS015903397, CS-W016266, (2E)-2-isopropyl-5-methyl-hex-2-enal, AS-60170, LS-13869, (2E)-2-Isopropyl-5-methyl-2-hexenal #, D77786, 2-Isopropyl-5-methyl-2-hexenal, Isodihydro lavandulal, Q27277997 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | O=C/C=C/CCC)C))))/CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-5-methyl-2-propan-2-ylhex-2-enal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | IOLQAHFPDADCHJ-POHAHGRESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-isopropyl-5-methyl-2-hexenal |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C=O |
| Compound Name | 2-Isopropyl-5-methyl-hex-2-enal, (2E)- |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6- |
| Smiles | CC(C)C/C=C(/C=O)\C(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965