bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate

C30H56N2O4 — CID 586744

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3
InChIKeyRSOILICUEWXSLA-UHFFFAOYSA-N
MW508.79 g/mol
LogP6.50
Rot. Bonds11

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate (PubChem CID 586744) has the molecular formula C30H56N2O4 and a molecular weight of 508.79 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
PubChem CID586744
Molecular FormulaC30H56N2O4
Molecular Weight508.79 g/mol
Exact Mass508.42
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3
InChIKeyRSOILICUEWXSLA-UHFFFAOYSA-N
XLogP6.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 56.50
H-Bond Donors ≤ 50
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 bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate (CID 586744) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate is CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
The InChIKey is RSOILICUEWXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate has a molecular weight of 508.79 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 586744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).