Methyl 14-methylhexadecanoate
PubChem CID: 520159
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| Compound Synonyms | Methyl 14-methylhexadecanoate, 2490-49-5, Hexadecanoic acid, 14-methyl-, methyl ester, Methyl 14-methyl-8-hexadecenoate, WE(1:0/16:1(8)(14Me)), METHYL14-METHYLHEXADECANOATE, SCHEMBL891693, methyl 14-methylhexa-decanoate, AOAFVSVYRSUDBN-UHFFFAOYSA-N, CHEBI:196215, DTXSID001016325, LMFA07010527, Hexadecanoicacid,14-methyl-,methyl ester, PD078018, HY-166193 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 14-methylhexadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.7 |
| Molecular Formula | C18H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOAFVSVYRSUDBN-UHFFFAOYSA-N |
| Fcsp3 | 0.9444444444444444 |
| Logs | -6.684 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.624 |
| Compound Name | Methyl 14-methylhexadecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.496300799999999 |
| Inchi | InChI=1S/C18H36O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3 |
| Smiles | CCC(C)CCCCCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients