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113998-34-8 | Cyclohexanone, 3-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-2,3-dimethyl-
CAS No: 113998-34-8 Catalog No: AG000A94 MDL No:
Product Description
Catalog Number:
AG000A94
Chemical Name:
Cyclohexanone, 3-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-2,3-dimethyl-
CAS Number:
113998-34-8
Molecular Formula:
C16H28O3
Molecular Weight:
268.3917
IUPAC Name:
3-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-2,3-dimethylcyclohexan-1-one
InChI:
InChI=1S/C16H28O3/c1-12-14(17)6-5-8-16(12,4)9-7-13-10-18-15(2,3)19-11-13/h12-13H,5-11H2,1-4H3
InChI Key:
YXBKCSUYCRQHDI-UHFFFAOYSA-N
SMILES:
CC1C(=O)CCCC1(C)CCC1COC(OC1)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.204g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.397g/mol
Monoisotopic Mass:
268.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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