2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid

C44H84N2O6 — CID 11657776

IUPAC2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid
SMILESCCCCCCCCON1C(C)(C)CCC(C(CCCCCCCC(=O)O)(C(=O)O)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C1(C)C
InChIInChI=1S/C44H84N2O6/c1-11-13-15-17-22-26-34-51-45-40(3,4)32-29-36(42(45,7)8)44(39(49)50,31-25-21-19-20-24-28-38(47)48)37-30-33-41(5,6)46(43(37,9)10)52-35-27-23-18-16-14-12-2/h36-37H,11-35H2,1-10H3,(H,47,48)(H,49,50)
InChIKeyDCOZBPTXZNTCFM-UHFFFAOYSA-N
MW737.16 g/mol
LogP12.00
Rot. Bonds27

About 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid

2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid (PubChem CID 11657776) has the molecular formula C44H84N2O6 and a molecular weight of 737.16 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid
PubChem CID11657776
Molecular FormulaC44H84N2O6
Molecular Weight737.16 g/mol
Exact Mass736.63
IUPAC Name2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid
SMILESCCCCCCCCON1C(C)(C)CCC(C(CCCCCCCC(=O)O)(C(=O)O)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C1(C)C
InChIInChI=1S/C44H84N2O6/c1-11-13-15-17-22-26-34-51-45-40(3,4)32-29-36(42(45,7)8)44(39(49)50,31-25-21-19-20-24-28-38(47)48)37-30-33-41(5,6)46(43(37,9)10)52-35-27-23-18-16-14-12-2/h36-37H,11-35H2,1-10H3,(H,47,48)(H,49,50)
InChIKeyDCOZBPTXZNTCFM-UHFFFAOYSA-N
XLogP12.00
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.16
LogP ≤ 512.00
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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid (CID 11657776) is 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid is CCCCCCCCON1C(C)(C)CCC(C(CCCCCCCC(=O)O)(C(=O)O)C2CCC(C)(C)N(OCCCCCCCC)C2(C)C)C1(C)C.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid?
The InChIKey is DCOZBPTXZNTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N2O6/c1-11-13-15-17-22-26-34-51-45-40(3,4)32-29-36(42(45,7)8)44(39(49)50,31-25-21-19-20-24-28-38(47)48)37-30-33-41(5,6)46(43(37,9)10)52-35-27-23-18-16-14-12-2/h36-37H,11-35H2,1-10H3,(H,47,48)(H,49,50).
What are the key properties of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid?
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl)decanedioic acid has a molecular weight of 737.16 g/mol, XLogP of 12.00, 27 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-octoxypiperidin-3-yl)decanedioic acid is sourced from PubChem (CID 11657776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).