2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid

C46H88N2O6 — CID 18533683

IUPAC2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid
SMILESCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H88N2O6/c1-11-13-15-17-19-24-28-32-53-47-42(3,4)34-38(35-43(47,5)6)46(41(51)52,31-27-23-21-22-26-30-40(49)50)39-36-44(7,8)48(45(9,10)37-39)54-33-29-25-20-18-16-14-12-2/h38-39H,11-37H2,1-10H3,(H,49,50)(H,51,52)
InChIKeyKAVFFNSAKKWADN-UHFFFAOYSA-N
MW765.22 g/mol
LogP12.78
Rot. Bonds29

About 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid

2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid (PubChem CID 18533683) has the molecular formula C46H88N2O6 and a molecular weight of 765.22 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid
PubChem CID18533683
Molecular FormulaC46H88N2O6
Molecular Weight765.22 g/mol
Exact Mass764.66
IUPAC Name2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid
SMILESCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H88N2O6/c1-11-13-15-17-19-24-28-32-53-47-42(3,4)34-38(35-43(47,5)6)46(41(51)52,31-27-23-21-22-26-30-40(49)50)39-36-44(7,8)48(45(9,10)37-39)54-33-29-25-20-18-16-14-12-2/h38-39H,11-37H2,1-10H3,(H,49,50)(H,51,52)
InChIKeyKAVFFNSAKKWADN-UHFFFAOYSA-N
XLogP12.78
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.22
LogP ≤ 512.78
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-Bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 11655948
2,2-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid
CID 11706150
2,2-Bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 21894016
2,2-Bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)butanedioic acid
CID 11650408
2,2-Bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid
CID 11657776
2,2-Bis(1,2,2,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 18352045
2,2-Bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 18371956
2,2-Bis(2,2,3,3,4-pentamethyl-1-octoxypiperidin-4-yl)decanedioic acid
CID 18629548
trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid
CID 18632419
2,2-Bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid
CID 18698886
2,2-Bis(1-heptoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 18758835
2,2-Bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 18758837

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid (CID 18533683) is 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid is CCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid?
The InChIKey is KAVFFNSAKKWADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H88N2O6/c1-11-13-15-17-19-24-28-32-53-47-42(3,4)34-38(35-43(47,5)6)46(41(51)52,31-27-23-21-22-26-30-40(49)50)39-36-44(7,8)48(45(9,10)37-39)54-33-29-25-20-18-16-14-12-2/h38-39H,11-37H2,1-10H3,(H,49,50)(H,51,52).
What are the key properties of 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid?
2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid has a molecular weight of 765.22 g/mol, XLogP of 12.78, 29 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 18533683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).