2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

C52H100N2O6 — CID 18758837

IUPAC2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCCCCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C52H100N2O6/c1-11-13-15-17-19-21-23-25-30-34-38-59-53-48(3,4)40-44(41-49(53,5)6)52(47(57)58,37-33-29-27-28-32-36-46(55)56)45-42-50(7,8)54(51(9,10)43-45)60-39-35-31-26-24-22-20-18-16-14-12-2/h44-45H,11-43H2,1-10H3,(H,55,56)(H,57,58)
InChIKeyPIAYEYIOGBNDFA-UHFFFAOYSA-N
MW849.38 g/mol
LogP15.12
Rot. Bonds35

About 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (PubChem CID 18758837) has the molecular formula C52H100N2O6 and a molecular weight of 849.38 g/mol. Its IUPAC name is 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
PubChem CID18758837
Molecular FormulaC52H100N2O6
Molecular Weight849.38 g/mol
Exact Mass848.76
IUPAC Name2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCCCCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C52H100N2O6/c1-11-13-15-17-19-21-23-25-30-34-38-59-53-48(3,4)40-44(41-49(53,5)6)52(47(57)58,37-33-29-27-28-32-36-46(55)56)45-42-50(7,8)54(51(9,10)43-45)60-39-35-31-26-24-22-20-18-16-14-12-2/h44-45H,11-43H2,1-10H3,(H,55,56)(H,57,58)
InChIKeyPIAYEYIOGBNDFA-UHFFFAOYSA-N
XLogP15.12
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.38
LogP ≤ 515.12
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(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (CID 18758837) is 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is CCCCCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCCCCCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The InChIKey is PIAYEYIOGBNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H100N2O6/c1-11-13-15-17-19-21-23-25-30-34-38-59-53-48(3,4)40-44(41-49(53,5)6)52(47(57)58,37-33-29-27-28-32-36-46(55)56)45-42-50(7,8)54(51(9,10)43-45)60-39-35-31-26-24-22-20-18-16-14-12-2/h44-45H,11-43H2,1-10H3,(H,55,56)(H,57,58).
What are the key properties of 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid has a molecular weight of 849.38 g/mol, XLogP of 15.12, 35 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-dodecoxy-2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 18758837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).