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100888-18-4 | Octane, 1-[2-(2-methylpropoxy)ethoxy]-
CAS No: 100888-18-4 Catalog No: AG000345 MDL No:
Product Description
Catalog Number:
AG000345
Chemical Name:
Octane, 1-[2-(2-methylpropoxy)ethoxy]-
CAS Number:
100888-18-4
Molecular Formula:
C14H30O2
Molecular Weight:
230.3868
IUPAC Name:
1-[2-(2-methylpropoxy)ethoxy]octane
InChI:
InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-15-11-12-16-13-14(2)3/h14H,4-13H2,1-3H3
InChI Key:
XUHGMWCDLOYRQE-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCCOCC(C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.392g/mol
Monoisotopic Mass:
230.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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