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10076-57-0 | Pentane, 1,1'-[(1-methylethylidene)bis(oxy)]bis-
CAS No: 10076-57-0 Catalog No: AG0002UM MDL No:
Product Description
Catalog Number:
AG0002UM
Chemical Name:
Pentane, 1,1'-[(1-methylethylidene)bis(oxy)]bis-
CAS Number:
10076-57-0
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
1-(2-pentoxypropan-2-yloxy)pentane
InChI:
InChI=1S/C13H28O2/c1-5-7-9-11-14-13(3,4)15-12-10-8-6-2/h5-12H2,1-4H3
InChI Key:
NWYYISOYSZWERS-UHFFFAOYSA-N
SMILES:
CCCCCOC(OCCCCC)(C)C
EC Number:
233-212-9
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:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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