| CAS Number | 59726-39-5 |
| Catalog Number | AG01C16G(AGN-PC-0JP402) |
| Chemical Name | 1,3-diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate |
| IUPAC Name | diethyl 2-propan-2-yl-2-prop-2-enylpropanedioate |
| InChI | InChI=1S/C13H22O4/c1-6-9-13(10(4)5,11(14)16-7-2)12(15)17-8-3/h6,10H,1,7-9H2,2-5H3 |
| InChI Key | QGNLWDKSPVNFGI-UHFFFAOYSA-N |
| MDL Number | MFCD16038471 |
| Molecular Formula | C13H22O4 |
| Molecular Weight | 242.3114 |
| SMILES | CCOC(C(C(OCC)=O)(C(C)C)CC=C)=O |
| Synonyms | 1,3-diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate,
59726-39-5,
SCHEMBL8847820,
AKOS033816376,
ZINC122661823,
BC4717100,
EN300-246170,
Z2235809832,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.315g/mol |
| Monoisotopic Mass | 242.152g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number