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13262-27-6 | Pentane, 1,1-bis(2-methylpropoxy)-
CAS No: 13262-27-6 Catalog No: AG0010WC MDL No:
Product Description
Catalog Number:
AG0010WC
Chemical Name:
Pentane, 1,1-bis(2-methylpropoxy)-
CAS Number:
13262-27-6
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
1,1-bis(2-methylpropoxy)pentane
InChI:
InChI=1S/C13H28O2/c1-6-7-8-13(14-9-11(2)3)15-10-12(4)5/h11-13H,6-10H2,1-5H3
InChI Key:
UIKYMLFYSKUGGI-UHFFFAOYSA-N
SMILES:
CCCCC(OCC(C)C)OCC(C)C
Properties
Complexity:
121
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:
4.5
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