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146091-17-0 | Hexane, 3,3-bis(methoxymethyl)-2,4,4-trimethyl-
CAS No: 146091-17-0 Catalog No: AG001DNN MDL No:
Product Description
Catalog Number:
AG001DNN
Chemical Name:
Hexane, 3,3-bis(methoxymethyl)-2,4,4-trimethyl-
CAS Number:
146091-17-0
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
3,3-bis(methoxymethyl)-2,4,4-trimethylhexane
InChI:
InChI=1S/C13H28O2/c1-8-12(4,5)13(9-14-6,10-15-7)11(2)3/h11H,8-10H2,1-7H3
InChI Key:
LXFAROPRTHIYPI-UHFFFAOYSA-N
SMILES:
COCC(C(CC)(C)C)(C(C)C)COC
Properties
Complexity:
167
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:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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