4-Methylpentyl 8-methylnonanoate
PubChem CID: 91691679
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| Compound Synonyms | 4-Methylpentyl 8-methylnonanoate, DZMWJKCEEYZSQX-UHFFFAOYSA-N, Nonanoic acid, 8-methyl-, 4-methylpentyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylpentyl 8-methylnonanoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C16H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZMWJKCEEYZSQX-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -6.278 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.156 |
| Compound Name | 4-Methylpentyl 8-methylnonanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.373766 |
| Inchi | InChI=1S/C16H32O2/c1-14(2)10-7-5-6-8-12-16(17)18-13-9-11-15(3)4/h14-15H,5-13H2,1-4H3 |
| Smiles | CC(C)CCCCCCC(=O)OCCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients