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13002-13-6 | Butane, 1,1'-[propylidenebis(oxy)]bis[3-methyl-
CAS No: 13002-13-6 Catalog No: AG000TXE MDL No:
Product Description
Catalog Number:
AG000TXE
Chemical Name:
Butane, 1,1'-[propylidenebis(oxy)]bis[3-methyl-
CAS Number:
13002-13-6
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
3-methyl-1-[1-(3-methylbutoxy)propoxy]butane
InChI:
InChI=1S/C13H28O2/c1-6-13(14-9-7-11(2)3)15-10-8-12(4)5/h11-13H,6-10H2,1-5H3
InChI Key:
MQOHVHXEZYLDJW-UHFFFAOYSA-N
SMILES:
CCC(OCCC(C)C)OCCC(C)C
EC Number:
235-840-9
Properties
Complexity:
119
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:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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