cis-7-Hexadecenoic Acid methyl ester
PubChem CID: 14029831
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| Compound Synonyms | cis-7-Hexadecenoic Acid methyl ester, 56875-67-3, methyl (Z)-hexadec-7-enoate, METHYL 7(Z)-HEXADECENOATE, Methyl 7Z-hexadecenoate, methyl (z)-7-hexadecenoate, (Z)-Methyl hexadec-7-enoate, WE(1:0/16:1(7Z)), formyl 7Z-hexadecenoate, 7-Hexadecenoic acid, methyl ester, (7Z)-7-?Hexadecenoic Acid Methyl Ester? (Solution in Ethanol), (Z)-7-Hexadecenoic acid methyl ester, Methyl cis-7-hexadecenoate, (Z)-methyl-hexadec-7-enoate, cis-7-hexadecenoate methyl ester, CHEBI:176577, DTXSID201015911, HMS3650A05, 7Z-Hexadecenoic acid, methyl ester, (7Z)-hexadecenoic acid methyl ester, LMFA07010496, METHYL (7Z)-HEXADEC-7-ENOATE, 7-aHexadecenoic acid, methyl ester, (7Z)a, DB-221224, HY-120989, SR-01000946756, SR-01000946756-1, (Z)-7-Hexadecenoic acid methyl ester, Methyl (Z)-7-hexadecenoate, Methyl cis-7-hexadecenoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-hexadec-7-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C17H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXCDESKKWMGGON-KHPPLWFESA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -4.187 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.349 |
| Compound Name | cis-7-Hexadecenoic Acid methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.593434199999998 |
| Inchi | InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h10-11H,3-9,12-16H2,1-2H3/b11-10- |
| Smiles | CCCCCCCC/C=C\CCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients