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3658-94-4

3658-94-4 | 1,1-Diethoxy-2-methylbutane

CAS No: 3658-94-4 Catalog No: AG0038S2 MDL No:

Product Description

Catalog Number:
AG0038S2
Chemical Name:
1,1-Diethoxy-2-methylbutane
CAS Number:
3658-94-4
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
IUPAC Name:
1,1-diethoxy-2-methylbutane
InChI:
InChI=1S/C9H20O2/c1-5-8(4)9(10-6-2)11-7-3/h8-9H,5-7H2,1-4H3
InChI Key:
PAPSQZAQCBGYCJ-UHFFFAOYSA-N
SMILES:
CCOC(C(CC)C)OCC

Properties

Complexity:
77.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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