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89000-65-7 | 1,4-Dioxane, 2,6-dihexyl-, trans-
CAS No: 89000-65-7 Catalog No: AG0045LI MDL No:
Product Description
Catalog Number:
AG0045LI
Chemical Name:
1,4-Dioxane, 2,6-dihexyl-, trans-
CAS Number:
89000-65-7
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
IUPAC Name:
2,6-dihexyl-1,4-dioxane
InChI:
InChI=1S/C16H32O2/c1-3-5-7-9-11-15-13-17-14-16(18-15)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChI Key:
GXJOZGYEFAAZQC-UHFFFAOYSA-N
SMILES:
CCCCCC[C@H]1COC[C@@H](O1)CCCCCC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.24g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.43g/mol
Monoisotopic Mass:
256.24g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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