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85409-70-7 | Cyclohexane-1,4-diylbis(methylene) diisobutyrate
CAS No: 85409-70-7 Catalog No: AG004K9T MDL No:
Product Description
Catalog Number:
AG004K9T
Chemical Name:
Cyclohexane-1,4-diylbis(methylene) diisobutyrate
CAS Number:
85409-70-7
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
IUPAC Name:
[4-(2-methylpropanoyloxymethyl)cyclohexyl]methyl 2-methylpropanoate
InChI:
InChI=1S/C16H28O4/c1-11(2)15(17)19-9-13-5-7-14(8-6-13)10-20-16(18)12(3)4/h11-14H,5-10H2,1-4H3
InChI Key:
XKYOVTCKPSRDLG-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC1CCC(CC1)COC(=O)C(C)C)C
EC Number:
287-140-8
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.396g/mol
Monoisotopic Mass:
284.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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