2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

C28H52N2O4 — CID 11655948

IUPAC2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H52N2O4/c1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21/h20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34)
InChIKeyOVAZURNBJBOTOW-UHFFFAOYSA-N
MW480.73 g/mol
LogP5.99
Rot. Bonds11

About 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (PubChem CID 11655948) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
PubChem CID11655948
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Name2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H52N2O4/c1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21/h20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34)
InChIKeyOVAZURNBJBOTOW-UHFFFAOYSA-N
XLogP5.99
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (CID 11655948) is 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The InChIKey is OVAZURNBJBOTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21/h20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34).
What are the key properties of 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid has a molecular weight of 480.73 g/mol, XLogP of 5.99, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 11655948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).