| CAS Number | 860469-35-8 |
| Catalog Number | AG00H3D6(AGN-PC-0WQXSB) |
| Chemical Name | Ethyl 4,4-diethoxycyclohexanecarboxylate |
| IUPAC Name | ethyl 4,4-diethoxycyclohexane-1-carboxylate |
| InChI | InChI=1S/C13H24O4/c1-4-15-12(14)11-7-9-13(10-8-11,16-5-2)17-6-3/h11H,4-10H2,1-3H3 |
| InChI Key | ZWAHPEMZQDAXMM-UHFFFAOYSA-N |
| MDL Number | MFCD20484893 |
| Molecular Formula | C13H24O4 |
| Molecular Weight | 244.3273 |
| SMILES | C(C)OC1(CCC(CC1)C(=O)OCC)OCC |
| Synonyms | Ethyl 4,4-diethoxycyclohexanecarboxylate,
860469-35-8,
Ethyl 4,4-diethoxycyclohexane-1carboxylate,
4,4-diethoxycyclohexanecarboxylic acid ethyl ester,
SCHEMBL1700730,
ZWAHPEMZQDAXMM-UHFFFAOYSA-N,
MFCD20484893,
AKOS027339207,
ZINC116884932,
FT-0729770,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.331g/mol |
| Monoisotopic Mass | 244.167g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number