PROPANEDIOIC ACID, BIS[[3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL]METHYL]-, BIS[2,2,6,6-TETRAMETHYL-1-(1-OXO-2-PROPENYL)-4-PIPERIDINYL] ESTER

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Keyword(s): Industrial Chemicals
Molecule Category Free-form
EPA CompTox DTXSID0070025

Structure

InChI Key ZVKKVSDZZGHJID-UHFFFAOYSA-N
Smiles CC(C)(C)c1cc(CC(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)cc(c1O)C(C)(C)C
InChI
InChI=1S/C57H86N2O8/c1-23-43(60)58-53(15,16)31-37(32-54(58,17)18)66-47(64)57(29-35-25-39(49(3,4)5)45(62)40(26-35)50(6,7)8,30-36-27-41(51(9,10)11)46(63)42(28-36)52(12,13)14)48(65)67-38-33-55(19,20)59(44(61)24-2)56(21,22)34-38/h23-28,37-38,62-63H,1-2,29-34H2,3-22H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C57H86N2O8
Molecular Weight 926.64
AlogP 11.61
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 133.68
Heavy Atoms 67.0

Cross References

Resources Reference
CAS NUMBER 63941-39-9
NORMAN SUSDAT
PubChem 174007
ChemSpider 151836.0
CONTENTS