| CAS Number | 792154-66-6 |
| Catalog Number | AG019SJ9 |
| Chemical Name | 2,2-Diethyloctanoic acid |
| IUPAC Name | 2,2-diethyloctanoic acid |
| InChI | InChI=1S/C12H24O2/c1-4-7-8-9-10-12(5-2,6-3)11(13)14/h4-10H2,1-3H3,(H,13,14) |
| InChI Key | GCXPWMYZEFIFNC-UHFFFAOYSA-N |
| MDL Number | MFCD16855717 |
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.3178 |
| SMILES | CCCCCCC(C(O)=O)(CC)CC |
| Synonyms | 2,2-diethyloctanoic acid,
792154-66-6,
SCHEMBL313593,
ZINC54633179,
AKOS012033355,
MCULE-7480769244,
NE52600,
EN300-93879,
Z1269673595,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.322g/mol |
| Monoisotopic Mass | 200.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number