| CAS Number | 29072-93-3 |
| Catalog Number | AG002X9C(AGN-PC-0JS9GJ) |
| Chemical Name | PROPANE, 2-METHYL-2-PROPOXY- |
| IUPAC Name | 2-methyl-2-propoxypropane |
| InChI | InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3 |
| InChI Key | FITVQUMLGWRKKG-UHFFFAOYSA-N |
| MDL Number | MFCD30474873 |
| Molecular Formula | C7H16O |
| Molecular Weight | 116.2013 |
| SMILES | C(C)(C)(C)OCCC |
| Synonyms | Propane, 2-methyl-2-propoxy-,
propyl tert-butyl ether,
29072-93-3,
2-methyl-2-propoxypropane,
t-butoxypropane,
tert-butylpropyl ether,
n-propyl t-butyl ether,
AC1LAU8E,
2-Methyl-2-propoxy-propane,
SCHEMBL191241,
CTK0J1583,
DTXSID20334339,
FITVQUMLGWRKKG-UHFFFAOYSA-N,
MFCD30474873,
Propyltert-butylether,
CID520405,
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| Complexity | 51.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.204g/mol |
| Monoisotopic Mass | 116.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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