Butyl Myristate
PubChem CID: 8047
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| Compound Synonyms | BUTYL MYRISTATE, Butyl tetradecanoate, 110-36-1, Myristic acid n-butyl ester, Tetradecanoic acid, butyl ester, Bumyr, Butyl n-tetradecanoate, Myristic acid, butyl ester, Wickenol 141, n-Butyl myristate, NSC 4814, Crodamol BM, Nikkol BM, EINECS 203-759-8, UNII-O061W4C37H, BRN 1782649, n-Butyl tetradecanoate, AI3-07958, O061W4C37H, NSC-4814, MFCD00015077, DTXSID4038716, Tetradecanoic acid, n-butyl ester, 4-02-00-01132 (Beilstein Handbook Reference), nButyl myristate, Butyl ntetradecanoate, nButyl tetradecanoate, Myristic Acid Butyl Ester, Myristic acid nbutyl ester, Butyl myristate, AldrichCPR, SCHEMBL43540, BUTYL MYRISTATE [INCI], Tetradecanoic acid nbutyl ester, CHEMBL206900, DTXCID2018716, NSC4814, Myristic acid, butyl ester (8CI), AKOS024390872, HY-W099584, BS-23651, SY053628, CS-0152226, M0477, NS00013415, D91335, Q27285150, 203-759-8 |
|---|---|
| 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 | CCCCCCCCCCCCCC=O)OCCCC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butyl tetradecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H36O2 |
| Inchi Key | DHAZIUXMHRHVMP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | butyl myristate |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Butyl Myristate |
| Exact Mass | 284.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.5 |
| 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/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(=O)OCCCC |
| 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 Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1329670