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88077-93-4 | 1,4-Dioxane, 2-(2-butyloctyl)-
CAS No: 88077-93-4 Catalog No: AG004HPF MDL No:
Product Description
Catalog Number:
AG004HPF
Chemical Name:
1,4-Dioxane, 2-(2-butyloctyl)-
CAS Number:
88077-93-4
Molecular Formula:
C16H32O2
Molecular Weight:
256.4241
IUPAC Name:
2-(2-butyloctyl)-1,4-dioxane
InChI:
InChI=1S/C16H32O2/c1-3-5-7-8-10-15(9-6-4-2)13-16-14-17-11-12-18-16/h15-16H,3-14H2,1-2H3
InChI Key:
PFEMAJSSXNADMC-UHFFFAOYSA-N
SMILES:
CCCCC(CC1OCCOC1)CCCCCC
Properties
Complexity:
182
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:
5.8
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