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13112-63-5 | Butane, 1,1'-[(2-methylpropylidene)bis(oxy)]bis[3-methyl-
CAS No: 13112-63-5 Catalog No: AG000VKD MDL No:
Product Description
Catalog Number:
AG000VKD
Chemical Name:
Butane, 1,1'-[(2-methylpropylidene)bis(oxy)]bis[3-methyl-
CAS Number:
13112-63-5
Molecular Formula:
C14H30O2
Molecular Weight:
230.3868
IUPAC Name:
3-methyl-1-[2-methyl-1-(3-methylbutoxy)propoxy]butane
InChI:
InChI=1S/C14H30O2/c1-11(2)7-9-15-14(13(5)6)16-10-8-12(3)4/h11-14H,7-10H2,1-6H3
InChI Key:
LLPRPPREEWFLJD-UHFFFAOYSA-N
SMILES:
CC(C(OCCC(C)C)OCCC(C)C)C
Properties
Complexity:
139
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:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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