2-Ethylhexyl trimethylsilyl phthalate
PubChem CID: 91735738
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| Compound Synonyms | AVSOQCFDBGCSRU-UHFFFAOYSA-N, 2-Ethylhexyl trimethylsilyl phthalate, Mono-2-ethylhexyl phthalate, TMS derivative, 1,2-Benzenedicarboxylic acid, 2-ethylhexyl trimethylsilyl ester |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-O-(2-ethylhexyl) 2-O-trimethylsilyl benzene-1,2-dicarboxylate |
| Prediction Hob | 0.0 |
| Molecular Formula | C19H30O4Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVSOQCFDBGCSRU-UHFFFAOYSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -5.392 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.128 |
| Compound Name | 2-Ethylhexyl trimethylsilyl phthalate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.191 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.191 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H30O4Si/c1-6-8-11-15(7-2)14-22-18(20)16-12-9-10-13-17(16)19(21)23-24(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3 |
| Smiles | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O[Si](C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lagerstroemia Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients