Phytol, acetate
PubChem CID: 6428538
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| Compound Synonyms | Phytyl acetate, Phytol acetate, Phytol, acetate, 10236-16-5, (E)-Phytyl acetate, SCHEMBL215081, [(E)-3,7,11,15-tetramethylhexadec-2-enyl] acetate, CHEMBL593049, Acetic Acid 3,7,11,15-Tetramethyl-2-hexadecenyl Ester, CHEBI:180024, JIGCTXHIECXYRJ-LTGZKZEYSA-N, MFCD00673238, CS-0339787, P1675, Q67880053, (2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate, 3,7,11,15-Tetramethyl-acetate(2E)-2-hexadecen-1-ol, Acetic acid 3,7,11,15-tetramethyl-hexadec-2-enyl ester, 3,7,11,15-Tetramethyl-2-hexadecenyl Acetate (cis- and trans- mixture), Acetic Acid 3,7,11,15-Tetramethyl-2-hexadecenyl Ester (cis- and trans- mixture) |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Description | It is used as a food additive . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-3,7,11,15-tetramethylhexadec-2-enyl] acetate |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 8.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diterpenoids |
| Molecular Formula | C22H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIGCTXHIECXYRJ-LTGZKZEYSA-N |
| Fcsp3 | 0.8636363636363636 |
| Rotatable Bond Count | 15.0 |
| Synonyms | (2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate, (e)-PHYTYL acetate, (R-(R*,R*-(E)))-3,7,11,15-Tetramethylhexadec-2-enyl acetate, 2-hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E)-, 3,7,11,15-Tetramethyl-acetate(2e)-2-hexadecen-1-ol, Acetic acid 3,7,11,15-tetramethyl-hexadec-2-enyl ester, PHYTYL diphosphate, Trans-PHYTYL acetate, Phytyl acetic acid, (2E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate, (e)-Phytyl acetate, (R-(R*,r*-(e)))-3,7,11,15-tetramethylhexadec-2-enyl acetate, 3,7,11,15-Tetramethyl-acetate(2E)-2-hexadecen-1-ol, (2E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetic acid |
| Compound Name | Phytol, acetate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 338.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -6.467971199999999 |
| Inchi | InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+ |
| Smiles | CC(C)CCCC(C)CCCC(C)CCC/C(=C/COC(=O)C)/C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Acyclic diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients