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825637-07-8 | 2-Butanone, 1-[(2,2,6,6-tetramethylcyclohexyl)oxy]-
CAS No: 825637-07-8 Catalog No: AG004Y3T MDL No:
Product Description
Catalog Number:
AG004Y3T
Chemical Name:
2-Butanone, 1-[(2,2,6,6-tetramethylcyclohexyl)oxy]-
CAS Number:
825637-07-8
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-one
InChI:
InChI=1S/C14H26O2/c1-6-11(15)10-16-12-13(2,3)8-7-9-14(12,4)5/h12H,6-10H2,1-5H3
InChI Key:
KYKKOQODLQQCMT-UHFFFAOYSA-N
SMILES:
CCC(=O)COC1C(C)(C)CCCC1(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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