3,7,11,15-tetramethyl-2E-hexadecenal
PubChem CID: 14035234
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| Compound Synonyms | phytal, 2E-Phytenal, 3,7,11,15-tetramethyl-2E-hexadecenal, (e)-3,7,11,15-tetramethylhexadec-2-enal, 13754-69-3, 3,7,11,15-Tetramethyl-2-hexadecenal, 2-Phyten-1-al, SCHEMBL214388, CHEMBL593774, CHEBI:169088, RAFZYSUICBQABU-HMMYKYKNSA-N, LMPR0104010025, 3,7,11,15-Tetramethyl-2-hexadecen-1-al |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of Tetragonia tetragonoides (New Zealand spinach). Phytal is found in green vegetables and new zealand spinach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3,7,11,15-tetramethylhexadec-2-enal |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 8.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H38O |
| Inchi Key | RAFZYSUICBQABU-HMMYKYKNSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | 2-Phyten-1-al, 3,7,11,15-Tetramethyl-2-hexadecenal, Phytal, 3,7,11,15-Tetramethylhexadec-2-enal |
| Compound Name | 3,7,11,15-tetramethyl-2E-hexadecenal |
| Kingdom | Organic compounds |
| Exact Mass | 294.292 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 294.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 294.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+ |
| Smiles | CC(C)CCCC(C)CCCC(C)CCC/C(=C/C=O)/C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Acyclic diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Tetragonia Tetragonioides (Plant) Rel Props:Source_db:fooddb_chem_all