Home Carboxys 1,3-Cyclohexanedicarboxylic acid, bis(1,1-dimethylethyl) ester

1,3-Cyclohexanedicarboxylic acid, bis(1,1-dimethylethyl) ester

CAS No.:
220179-70-4
Catalog Number:
AG007Q71
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
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Product Description
Catalog Number:
AG007Q71
Chemical Name:
1,3-Cyclohexanedicarboxylic acid, bis(1,1-dimethylethyl) ester
CAS Number:
220179-70-4
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
MDL Number:
MFCD29762719
IUPAC Name:
ditert-butyl cyclohexane-1,3-dicarboxylate
InChI:
InChI=1S/C16H28O4/c1-15(2,3)19-13(17)11-8-7-9-12(10-11)14(18)20-16(4,5)6/h11-12H,7-10H2,1-6H3
InChI Key:
UMYBJJQPKODXDD-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC(C1)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
326  
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:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties