| CAS Number | 78972-97-1 |
| Catalog Number | AG003AME(AGN-PC-0NE615) |
| Chemical Name | 1-(tert-butoxy)heptane |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxy]heptane |
| InChI | InChI=1S/C11H24O/c1-5-6-7-8-9-10-12-11(2,3)4/h5-10H2,1-4H3 |
| InChI Key | TYSCUIJRFGVUDM-UHFFFAOYSA-N |
| MDL Number | MFCD32206183 |
| Molecular Formula | C11H24O |
| Molecular Weight | 172.3077 |
| SMILES | C(C)(C)(C)OCCCCCCC |
| Synonyms | Heptyl tert-butyl ether,
78972-97-1,
tert-Butylheptyl ether,
tert-Butyl n-heptyl ether,
n-hexane=t-butyl methyl ether,
SCHEMBL2647917,
TYSCUIJRFGVUDM-UHFFFAOYSA-N,
1-[(2-methylpropan-2-yl)oxy]heptane,
CID10997518,
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| Complexity | 91.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.312g/mol |
| Monoisotopic Mass | 172.183g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number