bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate

C30H56N2O4 — CID 137448538

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
SMILESCCC(CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)CC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H56N2O4/c1-10-22(17-26(34)36-24-20-29(6,7)32-30(8,9)21-24)15-13-11-12-14-16-25(33)35-23-18-27(2,3)31-28(4,5)19-23/h22-24,31-32H,10-21H2,1-9H3
InChIKeyNDDDAUXXWPZOPP-UHFFFAOYSA-N
MW508.79 g/mol
LogP6.45
Rot. Bonds12

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate (PubChem CID 137448538) has the molecular formula C30H56N2O4 and a molecular weight of 508.79 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
PubChem CID137448538
Molecular FormulaC30H56N2O4
Molecular Weight508.79 g/mol
Exact Mass508.42
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
SMILESCCC(CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)CC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H56N2O4/c1-10-22(17-26(34)36-24-20-29(6,7)32-30(8,9)21-24)15-13-11-12-14-16-25(33)35-23-18-27(2,3)31-28(4,5)19-23/h22-24,31-32H,10-21H2,1-9H3
InChIKeyNDDDAUXXWPZOPP-UHFFFAOYSA-N
XLogP6.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822
bis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) heptanedioate
CID 121244522
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268
dipropan-2-yl 3-ethylheptadecanedioate
CID 87116948
dipropyl 3-ethylpentadecanedioate
CID 87116474
dipropyl 3-ethylicosanedioate
CID 87117792
10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 122433569

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate (CID 137448538) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate is CCC(CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)CC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate?
The InChIKey is NDDDAUXXWPZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4/c1-10-22(17-26(34)36-24-20-29(6,7)32-30(8,9)21-24)15-13-11-12-14-16-25(33)35-23-18-27(2,3)31-28(4,5)19-23/h22-24,31-32H,10-21H2,1-9H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate has a molecular weight of 508.79 g/mol, XLogP of 6.45, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate is sourced from PubChem (CID 137448538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).