Isopentyl 8-methylnon-6-enoate
PubChem CID: 91695620
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| Compound Synonyms | Isopentyl 8-methylnon-6-enoate, YWFMHFBFSKQAMK-VQHVLOKHSA-N, 3-Methylbutyl 8-methyl-6-nonenoate, 6-Nonenoic acid, 8-methyl-, 3-methylbutyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylbutyl (E)-8-methylnon-6-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWFMHFBFSKQAMK-VQHVLOKHSA-N |
| Fcsp3 | 0.8 |
| Logs | -5.604 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.934 |
| Compound Name | Isopentyl 8-methylnon-6-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6565993999999993 |
| Inchi | InChI=1S/C15H28O2/c1-13(2)9-7-5-6-8-10-15(16)17-12-11-14(3)4/h7,9,13-14H,5-6,8,10-12H2,1-4H3/b9-7+ |
| Smiles | CC(C)CCOC(=O)CCCC/C=C/C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients