bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

C36H68N2O4 — CID 172808816

IUPACbis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCC(C)(C)N1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C(C)(C)C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C36H68N2O4/c1-31(2,3)37-33(7,8)23-27(24-34(37,9)10)41-29(39)21-19-17-15-16-18-20-22-30(40)42-28-25-35(11,12)38(32(4,5)6)36(13,14)26-28/h27-28H,15-26H2,1-14H3
InChIKeyRWQAAOVMDZWLGP-UHFFFAOYSA-N
MW592.95 g/mol
LogP8.83
Rot. Bonds11

About bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (PubChem CID 172808816) has the molecular formula C36H68N2O4 and a molecular weight of 592.95 g/mol. Its IUPAC name is bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
PubChem CID172808816
Molecular FormulaC36H68N2O4
Molecular Weight592.95 g/mol
Exact Mass592.52
IUPAC Namebis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
SMILESCC(C)(C)N1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C(C)(C)C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C36H68N2O4/c1-31(2,3)37-33(7,8)23-27(24-34(37,9)10)41-29(39)21-19-17-15-16-18-20-22-30(40)42-28-25-35(11,12)38(32(4,5)6)36(13,14)26-28/h27-28H,15-26H2,1-14H3
InChIKeyRWQAAOVMDZWLGP-UHFFFAOYSA-N
XLogP8.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.95
LogP ≤ 58.83
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-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
CID 54027959
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
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858
4-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl butanedioate;6-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl hexanedioate
CID 22743585
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate (CID 172808816) is bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is CC(C)(C)N1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C(C)(C)C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
The InChIKey is RWQAAOVMDZWLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68N2O4/c1-31(2,3)37-33(7,8)23-27(24-34(37,9)10)41-29(39)21-19-17-15-16-18-20-22-30(40)42-28-25-35(11,12)38(32(4,5)6)36(13,14)26-28/h27-28H,15-26H2,1-14H3.
What are the key properties of bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate?
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate has a molecular weight of 592.95 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 172808816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).