Oleic acid, butyl ester
PubChem CID: 5354342
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| Compound Synonyms | Butyl oleate, 142-77-8, n-Butyl oleate, Advaplast 42, Kesscoflex BO, Butyl cis-9-octadecenoate, OLEIC ACID, BUTYL ESTER, Wilmar Butyl Oleate, Witcizer 100, Witcizer 101, Bytyl oleate, Kessco 554, 1-Butyl oleate, Uniflex BYO, Vinicizer 30, Plasthall 503, Plasthall 914, butyloleate, Hallco C-503 Plasticizer, Butyl 9-octadecenoate, butyl (Z)-octadec-9-enoate, Hallco C 503, Advaplast 42 (VAN), 9-Octadecenoic acid (Z)-, butyl ester, 9-Octadecenoic acid (9Z)-, butyl ester, HSDB 5483, NSC 6700, Butyl (Z)-9-octadecenoate, EINECS 205-559-6, butyl (9Z)-octadec-9-enoate, BRN 1728057, 9-Octadecenoic acid, butyl ester (cis), 9-Octadecenoic acid, butyl ester (Z)-, CHEBI:82946, AI3-00660, 9-Octadecenoic acid, butyl ester, AEC BUTYL OLEATE, NSC-6700, (Z)-octadec-9-enoic acid butyl ester, 487I65419Q, DTXSID7027099, 4-02-00-01653 (Beilstein Handbook Reference), OLEIC ACID, BUTYL ESTER [HSDB], Oleic Acid n-Butyl Ester, Oleic acid butyl ester, nButyl oleate, (E)-9-Octadecenoic acid butyl ester, Butyl oleic acid, UNII-487I65419Q, N-Butyl oleic acid, Oleate, butyl ester, 1-Butyl oleic acid, Butyl cis9octadecenoate, Butyl 9-octadecenoic acid, Elaidic acid, butyl ester, Hallco C503 Plasticizer, BUTYL OLEATE [INCI], SCHEMBL79292, DTXCID007099, CHEMBL3183174, Oleic acid, butyl ester (8CI), NSC6700, Butyl 9-octadecenoate or 9-18:1, Tox21_202744, LMFA07010975, MFCD00053819, (Z)-9-Octadecenoic acid butyl ester, 9Octadecenoic acid (Z), butyl ester, 9Octadecenoic acid, butyl ester (Z), AKOS024386323, 9Octadecenoic acid, butyl ester (cis), HY-W127377, s12223, NCGC00260292-01, AS-13009, CAS-142-77-8, CS-0185614, NS00012058, 9-OCTADECENOIC ACID, BUTYL ESTER(CIS), Q27156481, 205-559-6 |
|---|---|
| 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 | CCCCCCCC/C=CCCCCCCCC=O)OCCCC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butyl (Z)-octadec-9-enoate |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H42O2 |
| Inchi Key | WIBFFTLQMKKBLZ-SEYXRHQNSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 1-Butyl oleate, Butyl 9-octadecenoate, Butyl oleate, Oleic acid, butyl ester, 1-Butyl oleic acid, Butyl 9-octadecenoic acid, Butyl oleic acid, Oleate, butyl ester, N-Butyl oleic acid, Butyl (Z)-octadec-9-enoic acid, Butyloleate, n-butyl oleate |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | Oleic acid, butyl ester |
| Kingdom | Organic compounds |
| Exact Mass | 338.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 338.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty acid esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Plumeria Rubra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090612