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13273-86-4 | 1,3-Dioxane, 2-hexyl-2,5,5-trimethyl-
CAS No: 13273-86-4 Catalog No: AG00112G MDL No:
Product Description
Catalog Number:
AG00112G
Chemical Name:
1,3-Dioxane, 2-hexyl-2,5,5-trimethyl-
CAS Number:
13273-86-4
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
2-hexyl-2,5,5-trimethyl-1,3-dioxane
InChI:
InChI=1S/C13H26O2/c1-5-6-7-8-9-13(4)14-10-12(2,3)11-15-13/h5-11H2,1-4H3
InChI Key:
IZYWUHKGSHHUNB-UHFFFAOYSA-N
SMILES:
CCCCCCC1(C)OCC(CO1)(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.193g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.349g/mol
Monoisotopic Mass:
214.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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