bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate

C28H52N2O4 — CID 15752114

IUPACbis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)CCCCCCCCC(=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H52N2O4/c1-25(2)19-15-20-26(3,4)29(25)33-23(31)17-13-11-9-10-12-14-18-24(32)34-30-27(5,6)21-16-22-28(30,7)8/h9-22H2,1-8H3
InChIKeyYWDBZVIHZORXHG-UHFFFAOYSA-N
MW480.73 g/mol
LogP7.11
Rot. Bonds11

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

bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate (PubChem CID 15752114) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate
PubChem CID15752114
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)CCCCCCCCC(=O)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H52N2O4/c1-25(2)19-15-20-26(3,4)29(25)33-23(31)17-13-11-9-10-12-14-18-24(32)34-30-27(5,6)21-16-22-28(30,7)8/h9-22H2,1-8H3
InChIKeyYWDBZVIHZORXHG-UHFFFAOYSA-N
XLogP7.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 57.11
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(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate (CID 15752114) is bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate is CC1(C)CCCC(C)(C)N1OC(=O)CCCCCCCCC(=O)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate?
The InChIKey is YWDBZVIHZORXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-25(2)19-15-20-26(3,4)29(25)33-23(31)17-13-11-9-10-12-14-18-24(32)34-30-27(5,6)21-16-22-28(30,7)8/h9-22H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate?
bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate has a molecular weight of 480.73 g/mol, XLogP of 7.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-1-yl) decanedioate is sourced from PubChem (CID 15752114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).