| CAS Number | 129318-09-8 |
| Catalog Number | AG009FP7(AGN-PC-01M4KD) |
| Chemical Name | 2-Butyl-2-ethyl-1,3-dimethoxypropane |
| IUPAC Name | 3,3-bis(methoxymethyl)heptane |
| InChI | InChI=1S/C11H24O2/c1-5-7-8-11(6-2,9-12-3)10-13-4/h5-10H2,1-4H3 |
| InChI Key | NDAOWAVNIYQCLK-UHFFFAOYSA-N |
| MDL Number | MFCD22050721 |
| Molecular Formula | C11H24O2 |
| Molecular Weight | 188.3071 |
| SMILES | CCCCC(CC)(COC)COC |
| Synonyms | 2-Butyl-2-ethyl-1,3-dimethoxypropane,
129318-09-8,
SCHEMBL1276923,
ZINC88462674,
3,3-bis(methoxymethyl)heptane,
2-Butyl-2-ethyl-1,3-dimethoxypropane, 97% - 1G 1g,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.311g/mol |
| Monoisotopic Mass | 188.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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