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129228-11-1 | Heptane, 3,3-bis(methoxymethyl)-2,6-dimethyl-
CAS No: 129228-11-1 Catalog No: AG000YZQ MDL No:
Product Description
Catalog Number:
AG000YZQ
Chemical Name:
Heptane, 3,3-bis(methoxymethyl)-2,6-dimethyl-
CAS Number:
129228-11-1
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
3,3-bis(methoxymethyl)-2,6-dimethylheptane
InChI:
InChI=1S/C13H28O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4/h11-12H,7-10H2,1-6H3
InChI Key:
BHPDSAAGSUWVMP-UHFFFAOYSA-N
SMILES:
COCC(C(C)C)(CCC(C)C)COC
EC Number:
406-970-5
Properties
Complexity:
147
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:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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