| CAS Number | 21398-92-5 |
| Catalog Number | AG01ABNF(AGN-PC-0WOMMG) |
| Chemical Name | 1,3-diethyl 2-(methoxymethyl)-2-methylpropanedioate |
| IUPAC Name | diethyl 2-(methoxymethyl)-2-methylpropanedioate |
| InChI | InChI=1S/C10H18O5/c1-5-14-8(11)10(3,7-13-4)9(12)15-6-2/h5-7H2,1-4H3 |
| InChI Key | GVLURZHLOJMFIB-UHFFFAOYSA-N |
| MDL Number | MFCD26085168 |
| Molecular Formula | C10H18O5 |
| Molecular Weight | 218.2469 |
| SMILES | CCOC(C(C(OCC)=O)(COC)C)=O |
| Synonyms | 21398-92-5,
1,3-DIETHYL 2-(METHOXYMETHYL)-2-METHYLPROPANEDIOATE,
Diethyl 2-(methoxymethyl)-2-methylmalonate,
SCHEMBL10930476,
MFCD26085168,
ZINC95829002,
AKOS027323446,
MCULE-9757258896,
Z1675167310,
1,3-DIETHYL2-(METHOXYMETHYL)-2-METHYLPROPANEDIOATE,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.249g/mol |
| Monoisotopic Mass | 218.115g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number