| CAS Number | 1000-63-1 |
| Catalog Number | AG00008H(AGN-PC-0JMP35) |
| Chemical Name | 1-Butyl tert-butyl ether |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxy]butane |
| InChI | InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3 |
| InChI Key | JJNQHLLBFBGKEL-UHFFFAOYSA-N |
| MDL Number | MFCD32206208 |
| Molecular Formula | C8H18O |
| Molecular Weight | 130.2279 |
| SMILES | C(C)(C)(C)OCCCC |
| Synonyms | 1-Tert-butoxybutane,
1000-63-1,
butyl t-butyl ether,
1-[(2-methylpropan-2-yl)oxy]butane,
tert-Butylbutyl ether,
SCHEMBL10516,
AC1L39A4,
CTK3J8481,
DTXSID00142853,
JJNQHLLBFBGKEL-UHFFFAOYSA-N,
Butane,1-(1,1-dimethylethoxy)-,
Butane, 1-(1,1-dimethylethoxy)-,
CID136788,
|
| Complexity | 61.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.231g/mol |
| Monoisotopic Mass | 130.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
Certificate of Analysis
Lot Number