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Home Other Building Blocks tert-Butyl n-heptyl ether

tert-Butyl n-heptyl ether

CAS No.:
78972-97-1
Catalog Number:
AG003AME
Molecular Formula:
C11H24O
Molecular Weight:
172.3077
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Product Description
Catalog Number:
AG003AME
Chemical Name:
tert-Butyl n-heptyl ether
CAS Number:
78972-97-1
Molecular Formula:
C11H24O
Molecular Weight:
172.3077
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
SMILES:
CCCCCCCOC(C)(C)C
Properties
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  
Literature
Title Journal
Identification of six species in the new genus Cronobacter (Enterobacter sakazakii) from culture using gas chromatographic analysis of fatty acid methyl esters. Journal of AOAC International 20110101
Assay of TNP-470 and its two major metabolites in human plasma by high-performance liquid chromatography-mass spectrometry. Journal of chromatographic science 20020401
Properties