[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate

C56H84N2O6 — CID 23330840

IUPAC[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCc1ccc(C)c(N2C(C)(C)CC(OC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2(C)C)c1N1C(C)(C)CC(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C
InChIInChI=1S/C56H84N2O6/c1-33-23-24-34(2)44(58-55(19,20)31-38(32-56(58,21)22)64-48(62)36-27-41(51(9,10)11)46(60)42(28-36)52(12,13)14)43(33)57-53(15,16)29-37(30-54(57,17)18)63-47(61)35-25-39(49(3,4)5)45(59)40(26-35)50(6,7)8/h23-28,37-38,59-60H,29-32H2,1-22H3
InChIKeyXORWJMWOWFBURD-UHFFFAOYSA-N
MW881.30 g/mol
LogP13.67
Rot. Bonds6

About [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate

[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate (PubChem CID 23330840) has the molecular formula C56H84N2O6 and a molecular weight of 881.30 g/mol. Its IUPAC name is [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Name[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate
PubChem CID23330840
Molecular FormulaC56H84N2O6
Molecular Weight881.30 g/mol
Exact Mass880.63
IUPAC Name[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCc1ccc(C)c(N2C(C)(C)CC(OC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2(C)C)c1N1C(C)(C)CC(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C
InChIInChI=1S/C56H84N2O6/c1-33-23-24-34(2)44(58-55(19,20)31-38(32-56(58,21)22)64-48(62)36-27-41(51(9,10)11)46(60)42(28-36)52(12,13)14)43(33)57-53(15,16)29-37(30-54(57,17)18)63-47(61)35-25-39(49(3,4)5)45(59)40(26-35)50(6,7)8/h23-28,37-38,59-60H,29-32H2,1-22H3
InChIKeyXORWJMWOWFBURD-UHFFFAOYSA-N
XLogP13.67
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.30
LogP ≤ 513.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate?
The IUPAC name of [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate (CID 23330840) is [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate.
What is the SMILES notation for [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate?
The canonical SMILES for [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate is Cc1ccc(C)c(N2C(C)(C)CC(OC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2(C)C)c1N1C(C)(C)CC(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1(C)C.
What is the InChIKey of [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate?
The InChIKey is XORWJMWOWFBURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84N2O6/c1-33-23-24-34(2)44(58-55(19,20)31-38(32-56(58,21)22)64-48(62)36-27-41(51(9,10)11)46(60)42(28-36)52(12,13)14)43(33)57-53(15,16)29-37(30-54(57,17)18)63-47(61)35-25-39(49(3,4)5)45(59)40(26-35)50(6,7)8/h23-28,37-38,59-60H,29-32H2,1-22H3.
What are the key properties of [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate?
[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate has a molecular weight of 881.30 g/mol, XLogP of 13.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 23330840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).