(3E)-3-Methyl-2-(1-methylethylidene)-3,5-hexadienal
PubChem CID: 5368460
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| Compound Synonyms | 2-Isopropylidene-3-methylhexa-3,5-dienal, NIEPGDUXTWPJLS-RMKNXTFCSA-N, (3E)-3-Methyl-2-(1-methylethylidene)-3,5-hexadienal # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-3-methyl-2-propan-2-ylidenehexa-3,5-dienal |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIEPGDUXTWPJLS-RMKNXTFCSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.573 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.539 |
| Compound Name | (3E)-3-Methyl-2-(1-methylethylidene)-3,5-hexadienal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6019702 |
| Inchi | InChI=1S/C10H14O/c1-5-6-9(4)10(7-11)8(2)3/h5-7H,1H2,2-4H3/b9-6+ |
| Smiles | CC(=C(C=O)/C(=C/C=C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients