Cetyl Acetate
PubChem CID: 12393
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| Compound Synonyms | Palmityl acetate, Hexadecyl acetate, Cetyl acetate, 629-70-9, 1-Hexadecanol, acetate, 1-Acetoxyhexadecane, n-Hexadecyl ethanoate, Hexadecanol acetate, Acetic acid, hexadecyl ester, ENT 1025, 1-Hexadecanol, 1-acetate, NSC 8492, 1-HEXADECANOL ACETATE, EINECS 211-103-7, n-hexadecyl acetate, BRN 1782695, PELEMOL CA, AI3-01025, 4Q43814HXS, NSC-8492, DTXSID2052312, CHEBI:146185, 4-02-00-00171 (Beilstein Handbook Reference), PALMITYLACETATE, UNII-4Q43814HXS, Acelan A, 1Acetoxyhexadecane, hexadecanyl acetate, nHexadecyl ethanoate, MFCD00056152, 1Hexadecanol, acetate, 1Hexadecanol, 1acetate, Acetic acid hexadecyl ester, CETYL ACETATE [INCI], SCHEMBL118101, CHEMBL137354, DTXCID9030884, NSC8492, AAA62970, LMFA07010379, AKOS024390930, HY-W127540, AS-10426, CS-0185766, NS00001403, E82294, Q27260353, 211-103-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCOC=O)C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecyl acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36O2 |
| Inchi Key | LSTDYDRCKUBPDI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | cetyl acetate, hexadecyl acetate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Cetyl Acetate |
| Exact Mass | 284.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
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FOUND_INto/from Bidens Pilosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700039 - 3. Outgoing r'ship
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FOUND_INto/from Curcuma Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1680 - 5. Outgoing r'ship
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FOUND_INto/from Jasminum Sambac (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698620 - 7. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.775081 - 8. Outgoing r'ship
FOUND_INto/from Mandragora Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700991 - 9. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:ISBN:9788172363093 - 10. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1005 - 11. Outgoing r'ship
FOUND_INto/from Taxodium Distichum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701161