Vinyl laurate
PubChem CID: 75069
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| Compound Synonyms | Vinyl laurate, 2146-71-6, ethenyl dodecanoate, Vinyl dodecanoate, Dodecanoic acid, ethenyl ester, Lauric acid, vinyl ester, Lauric Acid Vinyl Ester, CP59R9UN62, NSC-32650, dodecanoic acid vinyl ester, UNII-CP59R9UN62, DTXSID7074953, VinylLaurate(stabilizedwithMEHQ), EINECS 218-414-7, NSC 32650, EC 218-414-7, Vinyl lauric acid, Ethenyl dodecanoic acid, SCHEMBL18055, DTXCID9036482, NSC32650, Vinyl laurate, >=99.0% (GC), MFCD00048421, AKOS028108503, Dodecanoic acid, ethenyl ester (9CI), Vinyl Laurate (stabilized with MEHQ), HY-W106424, LS-14354, DB-045591, CS-0167844, L0090, NS00009930, Vinyl laurate, produced by Wacker Chemie AG, Burghausen, Germany, >=98.0% (GC) |
|---|---|
| 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)OC=C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethenyl dodecanoate |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLVVKKSPKXTQRB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.7857142857142857 |
| Logs | -3.107 |
| Rotatable Bond Count | 12.0 |
| Logd | 1.706 |
| Synonyms | ethenyl dodecanoate |
| Esol Class | Moderately soluble |
| Functional Groups | C=COC(C)=O |
| Compound Name | Vinyl laurate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| 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 |
| Esol | -4.168432 |
| Inchi | InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3 |
| Smiles | CCCCCCCCCCCC(=O)OC=C |
| Nring | 4.0 |
| 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 Glycosmis Pentaphylla (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699568 - 2. Outgoing r'ship
FOUND_INto/from Mandragora Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700991 - 3. Outgoing r'ship
FOUND_INto/from Zanthoxylum Planispinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all