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183158-70-5 | 1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-
CAS No: 183158-70-5 Catalog No: AG0024FB MDL No:
Product Description
Catalog Number:
AG0024FB
Chemical Name:
1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-
CAS Number:
183158-70-5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
5-methyl-2-(2-methylpropyl)-1,3-dioxane
InChI:
InChI=1S/C9H18O2/c1-7(2)4-9-10-5-8(3)6-11-9/h7-9H,4-6H2,1-3H3
InChI Key:
MBEPJPZPFKXSPV-UHFFFAOYSA-N
SMILES:
CC(CC1OCC(CO1)C)C
EC Number:
426-130-1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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