2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid

C30H56N2O4 — CID 18698886

IUPAC2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid
SMILESCC1C(C)N(C)C(C)(C)CC1C(CCCCCCCC(=O)O)(C(=O)O)C1CC(C)(C)N(C)C(C)C1C
InChIInChI=1S/C30H56N2O4/c1-20-22(3)31(9)28(5,6)18-24(20)30(27(35)36,17-15-13-11-12-14-16-26(33)34)25-19-29(7,8)32(10)23(4)21(25)2/h20-25H,11-19H2,1-10H3,(H,33,34)(H,35,36)
InChIKeyRGOSPLAWZZTDDI-UHFFFAOYSA-N
MW508.79 g/mol
LogP6.38
Rot. Bonds11

About 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid

2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid (PubChem CID 18698886) has the molecular formula C30H56N2O4 and a molecular weight of 508.79 g/mol. Its IUPAC name is 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid
PubChem CID18698886
Molecular FormulaC30H56N2O4
Molecular Weight508.79 g/mol
Exact Mass508.42
IUPAC Name2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid
SMILESCC1C(C)N(C)C(C)(C)CC1C(CCCCCCCC(=O)O)(C(=O)O)C1CC(C)(C)N(C)C(C)C1C
InChIInChI=1S/C30H56N2O4/c1-20-22(3)31(9)28(5,6)18-24(20)30(27(35)36,17-15-13-11-12-14-16-26(33)34)25-19-29(7,8)32(10)23(4)21(25)2/h20-25H,11-19H2,1-10H3,(H,33,34)(H,35,36)
InChIKeyRGOSPLAWZZTDDI-UHFFFAOYSA-N
XLogP6.38
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 56.38
H-Bond Donors ≤ 52
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(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid (CID 18698886) is 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid is CC1C(C)N(C)C(C)(C)CC1C(CCCCCCCC(=O)O)(C(=O)O)C1CC(C)(C)N(C)C(C)C1C.
What is the InChIKey of 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid?
The InChIKey is RGOSPLAWZZTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4/c1-20-22(3)31(9)28(5,6)18-24(20)30(27(35)36,17-15-13-11-12-14-16-26(33)34)25-19-29(7,8)32(10)23(4)21(25)2/h20-25H,11-19H2,1-10H3,(H,33,34)(H,35,36).
What are the key properties of 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid?
2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid has a molecular weight of 508.79 g/mol, XLogP of 6.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,2,2,5,6-pentamethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 18698886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).