Cetyl palmitate
PubChem CID: 10889
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cetyl palmitate, Hexadecyl palmitate, 540-10-3, Palmityl palmitate, Hexadecyl hexadecanoate, Cetin, Hexadecanoic acid, hexadecyl ester, Hexadecanoic acid hexadecyl ester, hexadecanyl hexadecanoate, Standamul 1616, n-Hexadecyl hexadecanoate, MFCD00053739, Palmitic acid palmityl ester, Cetyl palmitate [NF], PALMITIC ACID, HEXADECYL ESTER, palmitic acid, cetyl ester, 5ZA2S6B08X, CHEBI:75584, WE(16:0/16:0), 95912-87-1, Cetyl palmitate (NF), 100231-74-1, Palmitic Acid Hexadecyl Ester, n-hexadecyl palmitate, EINECS 208-736-6, BRN 1805188, UNII-5ZA2S6B08X, Schercemol CP, Crodamol CP, Precifac ATO, Starfol CP, Cutina CP, C32H64O2, EINECS 309-375-8, Waxenol 815, Kessco 653, n-hexadecanyl palmitate, Radia 7500, SCHEMBL44487, CETYL PALMITATE [II], CETYL PALMITATE [MI], N-HEXYLDECYL PALMITATE, Palmityl palmitate, >=99%, Palmatic acid n-hexadecyl ester, CETYL PALMITATE [VANDF], CETYL PALMITATE [MART.], CHEMBL2106073, DTXSID5047114, CETYL PALMITATE [USP-RS], CETYL PALMITATE [WHO-DD], YFC06615, EINECS 306-083-2, Hexadecyl ester of hexadecanoic acid, LMFA07010001, AKOS015903369, CETYL PALMITATE [EP MONOGRAPH], CS-W011523, HY-W010807, DS-11394, SY010863, DB-052456, NS00012089, P1077, D08888, D70209, EC 306-083-2, Q409361, Cetyl palmitate 15, European Pharmacopoeia (EP) Reference Standard, Cetyl palmitate 95, European Pharmacopoeia (EP) Reference Standard, Cetyl palmitate, United States Pharmacopeia (USP) Reference Standard, Cetyl Palmitate, Pharmaceutical Secondary Standard, Certified Reference Material |
|---|---|
| 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)CCCCCCCCCCCCCCC |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Fatty acyls |
| Description | Ceryl palmitate, also known as hexadecanyl hexadecanoate or hexadecanoic acid, hexadecyl ester, is a member of the class of compounds known as wax monoesters. Wax monoesters are waxes bearing an ester group at exactly one position. Thus, ceryl palmitate is considered to be a fatty ester lipid molecule. Ceryl palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ceryl palmitate can be found in loquat and opium poppy, which makes ceryl palmitate a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecyl hexadecanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H64O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXDJXZJSCPSGGI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.96875 |
| Logs | -7.911 |
| Rotatable Bond Count | 30.0 |
| Logd | 5.114 |
| Synonyms | hexadecyl palmitate, palmityl palmitate |
| Esol Class | Insoluble |
| Functional Groups | COC(C)=O |
| Compound Name | Cetyl palmitate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 480.491 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.491 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 480.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -10.404744400000002 |
| Inchi | InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Humifusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Pseudoginseng (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all