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69775-79-7 | tert-Butyl n-hexyl ether
CAS No: 69775-79-7 Catalog No: AG0036O0 MDL No:
Product Description
Catalog Number:
AG0036O0
Chemical Name:
tert-Butyl n-hexyl ether
CAS Number:
69775-79-7
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]hexane
InChI:
InChI=1S/C10H22O/c1-5-6-7-8-9-11-10(2,3)4/h5-9H2,1-4H3
InChI Key:
XSBHWHZJHSUCOI-UHFFFAOYSA-N
SMILES:
CCCCCCOC(C)(C)C
Properties
Complexity:
81.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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