bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate

C42H80N2O4 — CID 54027959

IUPACbis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
SMILESCN1C(C)(C(C)(C)C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C(C)(C)C)N(C)C(C)(C(C)(C)C)C2)CC1(C)C(C)(C)C
InChIInChI=1S/C42H80N2O4/c1-35(2,3)39(13)27-31(28-40(14,43(39)17)36(4,5)6)47-33(45)25-23-21-19-20-22-24-26-34(46)48-32-29-41(15,37(7,8)9)44(18)42(16,30-32)38(10,11)12/h31-32H,19-30H2,1-18H3
InChIKeyLDOMTBUSMFOUNZ-UHFFFAOYSA-N
MW677.11 g/mol
LogP10.60
Rot. Bonds11

About bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate

bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate (PubChem CID 54027959) has the molecular formula C42H80N2O4 and a molecular weight of 677.11 g/mol. Its IUPAC name is bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
PubChem CID54027959
Molecular FormulaC42H80N2O4
Molecular Weight677.11 g/mol
Exact Mass676.61
IUPAC Namebis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
SMILESCN1C(C)(C(C)(C)C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C(C)(C)C)N(C)C(C)(C(C)(C)C)C2)CC1(C)C(C)(C)C
InChIInChI=1S/C42H80N2O4/c1-35(2,3)39(13)27-31(28-40(14,43(39)17)36(4,5)6)47-33(45)25-23-21-19-20-22-24-26-34(46)48-32-29-41(15,37(7,8)9)44(18)42(16,30-32)38(10,11)12/h31-32H,19-30H2,1-18H3
InChIKeyLDOMTBUSMFOUNZ-UHFFFAOYSA-N
XLogP10.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.11
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463

Frequently Asked Questions

What is the IUPAC name of bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate (CID 54027959) is bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate is CN1C(C)(C(C)(C)C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C(C)(C)C)N(C)C(C)(C(C)(C)C)C2)CC1(C)C(C)(C)C.
What is the InChIKey of bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate?
The InChIKey is LDOMTBUSMFOUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H80N2O4/c1-35(2,3)39(13)27-31(28-40(14,43(39)17)36(4,5)6)47-33(45)25-23-21-19-20-22-24-26-34(46)48-32-29-41(15,37(7,8)9)44(18)42(16,30-32)38(10,11)12/h31-32H,19-30H2,1-18H3.
What are the key properties of bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate?
bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate has a molecular weight of 677.11 g/mol, XLogP of 10.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 54027959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).