Propyl laurate
PubChem CID: 77255
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| Compound Synonyms | Propyl dodecanoate, Propyl laurate, 3681-78-5, Dodecanoic acid, propyl ester, propionyl dodecanoate, AI3-31997, EINECS 222-961-7, MFCD00056190, DTXSID30190286, NSC 42573, NSC-42573, WE(3:0/12:0), Lauric acid propyl ester, Propyl laurate, lauric acid propyl ester, dodecanoic acid propyl ester, Propyl laurate #, PROPYLDODECANOATE, Lauric acid, propyl ester, 2YV6DL6VEE, I-PROPYL DODECANOATE, Propyl dodecanoate, ~99%, SCHEMBL332712, DTXCID40112777, CHEBI:196018, NSC42573, LMFA07010465, AKOS014762960, CS-W002270, HY-W002270, AS-20063, SY022094, DB-344018, NS00022110, Q63392911, 222-961-7 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCC=O)OCCC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propyl dodecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H30O2 |
| Inchi Key | FTBUKOLPOATXGV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | propyl dodecanoate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Propyl laurate |
| Exact Mass | 242.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.4 |
| 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/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(=O)OCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Mandragora Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700991 - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1812