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129228-25-7 | Heptane, 4,4-bis(ethoxymethyl)-2,6-dimethyl-
CAS No: 129228-25-7 Catalog No: AG000YZL MDL No:
Product Description
Catalog Number:
AG000YZL
Chemical Name:
Heptane, 4,4-bis(ethoxymethyl)-2,6-dimethyl-
CAS Number:
129228-25-7
Molecular Formula:
C15H32O2
Molecular Weight:
244.4134
IUPAC Name:
4,4-bis(ethoxymethyl)-2,6-dimethylheptane
InChI:
InChI=1S/C15H32O2/c1-7-16-11-15(9-13(3)4,10-14(5)6)12-17-8-2/h13-14H,7-12H2,1-6H3
InChI Key:
VVEYETJZOMJKNK-UHFFFAOYSA-N
SMILES:
CCOCC(CC(C)C)(CC(C)C)COCC
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.24g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.419g/mol
Monoisotopic Mass:
244.24g/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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