Benzyl laurate
PubChem CID: 8791
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| Compound Synonyms | Benzyl laurate, Benzyl dodecanoate, 140-25-0, Dodecanoic acid, phenylmethyl ester, Lauric acid, benzyl ester, DODECANOIC ACID, BENZYL ESTER, Lauric Acid Benzyl Ester, Phenylmethyl dodecanoate, UNII-HSB3L16SHO, HSB3L16SHO, EINECS 205-405-8, NSC 404342, BRN 2280321, AI3-17966, NSC-404342, DTXSID7059692, 4-06-00-02267 (Beilstein Handbook Reference), Dodecanoic acid,phenylmethyl ester, BENZYLLAURATE, MFCD00026558, dodecanoic acid benzyl ester, BENZYL LAURATE [INCI], SCHEMBL296362, WLN: 11VO1R, DTXCID8034538, Lauric acid, benzyl ester (8CI), NSC404342, AKOS024332341, HY-W129181, BS-49105, DB-003601, CS-0187318, L0107, NS00012008, D91246, Q27280071, 205-405-8 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCC=O)OCcccccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyloxycarbonyls |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzyl dodecanoate |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H30O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | QNRYOQRUGRVBRL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | benzyl laurate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Benzyl laurate |
| Exact Mass | 290.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 290.4 |
| 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/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3 |
| Smiles | CCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
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