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13112-69-1 | Butane, 1,1-dibutoxy-3-methyl-
CAS No: 13112-69-1 Catalog No: AG000VKC MDL No:
Product Description
Catalog Number:
AG000VKC
Chemical Name:
Butane, 1,1-dibutoxy-3-methyl-
CAS Number:
13112-69-1
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
1,1-dibutoxy-3-methylbutane
InChI:
InChI=1S/C13H28O2/c1-5-7-9-14-13(11-12(3)4)15-10-8-6-2/h12-13H,5-11H2,1-4H3
InChI Key:
RLNQTYONQFCUOR-UHFFFAOYSA-N
SMILES:
CCCCOC(CC(C)C)OCCCC
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.209g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.365g/mol
Monoisotopic Mass:
216.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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