Methyl 4-decenoate, (4Z)-
PubChem CID: 5352371
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| Compound Synonyms | Methyl (Z)-4-decenoate, 7367-83-1, methyl (Z)-dec-4-enoate, METHYL-CIS-4-DECENOATE, Methyl 4-decenoate, (4Z)-, Methyl cis-4-decenoate, 0KBW80KW5K, formyl 4Z-decenoate, 4-Decenoic acid, methyl ester, (Z)-, EINECS 230-914-7, 4-Decenoic acid, methyl ester, (4Z)-, Methyl 4-decenoate, METHYL 4-DECENOATE, (Z)-, 4-Decenoic acid, methylester, (4Z)-, DECENOIC ACID METHYL ESTER, (Z)-4-, WE(1:0/10:1(4Z)), UNII-0KBW80KW5K, Methyl 4Z-decenoate, (4Z)-methyl 4-decenoate, (4Z)-Methyl dec-4-enoate, Methyl (4Z)-4-decenoate #, DTXSID60864044, CHEBI:196469, 4-Decenoic acid, methyl ester, Z-, LMFA07010477, AKOS006279439, DB-255160, NS00044257, Q27236894, 230-914-7 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-dec-4-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C11H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CRHITZQXHNFRAZ-FPLPWBNLSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -3.28 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.016 |
| Compound Name | Methyl 4-decenoate, (4Z)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6280297999999997 |
| Inchi | InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7- |
| Smiles | CCCCC/C=C\CCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients