bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate

C32H60N2O4 — CID 21245383

IUPACbis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate
SMILESCC1(C)CCCC(C)(C)N1CCOC(=O)CCCCCCCCC(=O)OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C32H60N2O4/c1-29(2)19-15-20-30(3,4)33(29)23-25-37-27(35)17-13-11-9-10-12-14-18-28(36)38-26-24-34-31(5,6)21-16-22-32(34,7)8/h9-26H2,1-8H3
InChIKeyLLTVTSDKVNWEBV-UHFFFAOYSA-N
MW536.84 g/mol
LogP7.28
Rot. Bonds15

About bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate

bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate (PubChem CID 21245383) has the molecular formula C32H60N2O4 and a molecular weight of 536.84 g/mol. Its IUPAC name is bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate.

Molecular Properties

Compound Namebis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate
PubChem CID21245383
Molecular FormulaC32H60N2O4
Molecular Weight536.84 g/mol
Exact Mass536.46
IUPAC Namebis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate
SMILESCC1(C)CCCC(C)(C)N1CCOC(=O)CCCCCCCCC(=O)OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C32H60N2O4/c1-29(2)19-15-20-30(3,4)33(29)23-25-37-27(35)17-13-11-9-10-12-14-18-28(36)38-26-24-34-31(5,6)21-16-22-32(34,7)8/h9-26H2,1-8H3
InChIKeyLLTVTSDKVNWEBV-UHFFFAOYSA-N
XLogP7.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.84
LogP ≤ 57.28
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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Frequently Asked Questions

What is the IUPAC name of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate?
The IUPAC name of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate (CID 21245383) is bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate.
What is the SMILES notation for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate?
The canonical SMILES for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate is CC1(C)CCCC(C)(C)N1CCOC(=O)CCCCCCCCC(=O)OCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate?
The InChIKey is LLTVTSDKVNWEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O4/c1-29(2)19-15-20-30(3,4)33(29)23-25-37-27(35)17-13-11-9-10-12-14-18-28(36)38-26-24-34-31(5,6)21-16-22-32(34,7)8/h9-26H2,1-8H3.
What are the key properties of bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate?
bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate has a molecular weight of 536.84 g/mol, XLogP of 7.28, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl] decanedioate is sourced from PubChem (CID 21245383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).