Methyl 15-methylhexadecanoate
PubChem CID: 522345
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| Compound Synonyms | Methyl 15-methylhexadecanoate, 6929-04-0, Methyl isoheptadecanoate, Hexadecanoic acid,15-methyl-, methyl ester, Hexadecanoic acid, 15-methyl-, methyl ester, Methyl 15-methylpalmitate, 15-Methylhexadecanoic acid methyl ester, SCHEMBL2254699, DTXSID10334924, BNHKXOIJKIMOJH-UHFFFAOYSA-N, METHYL15-METHYLHEXADECANOATE, HY-W127560, PD078118, Hexadecanoic acid,15-methyl-,methyl ester, CS-0185782, NS00095940, Q63392144, 021412EE-6DF4-4E02-A06D-81DAA198DFFD |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 15-methylhexadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.2 |
| Molecular Formula | C18H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNHKXOIJKIMOJH-UHFFFAOYSA-N |
| Fcsp3 | 0.9444444444444444 |
| Logs | -5.547 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.745 |
| Compound Name | Methyl 15-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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.420700799999999 |
| Inchi | InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3 |
| Smiles | CC(C)CCCCCCCCCCCCCC(=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Leucostomum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients