tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate

C40H71N3O7 — CID 18715866

IUPACtris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
SMILESCC(=O)CC(CC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C40H71N3O7/c1-26(44)17-27(33(46)49-30-22-37(6,7)42(15)38(8,9)23-30)18-28(34(47)50-31-24-39(10,11)43(16)40(12,13)25-31)19-32(45)48-29-20-35(2,3)41(14)36(4,5)21-29/h27-31H,17-25H2,1-16H3
InChIKeyGUAWFUHMXDGSRL-UHFFFAOYSA-N
MW706.02 g/mol
LogP6.56
Rot. Bonds11

About tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate

tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate (PubChem CID 18715866) has the molecular formula C40H71N3O7 and a molecular weight of 706.02 g/mol. Its IUPAC name is tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate.

Molecular Properties

Compound Nametris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
PubChem CID18715866
Molecular FormulaC40H71N3O7
Molecular Weight706.02 g/mol
Exact Mass705.53
IUPAC Nametris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
SMILESCC(=O)CC(CC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C40H71N3O7/c1-26(44)17-27(33(46)49-30-22-37(6,7)42(15)38(8,9)23-30)18-28(34(47)50-31-24-39(10,11)43(16)40(12,13)25-31)19-32(45)48-29-20-35(2,3)41(14)36(4,5)21-29/h27-31H,17-25H2,1-16H3
InChIKeyGUAWFUHMXDGSRL-UHFFFAOYSA-N
XLogP6.56
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.02
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?
The IUPAC name of tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate (CID 18715866) is tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate.
What is the SMILES notation for tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?
The canonical SMILES for tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate is CC(=O)CC(CC(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?
The InChIKey is GUAWFUHMXDGSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H71N3O7/c1-26(44)17-27(33(46)49-30-22-37(6,7)42(15)38(8,9)23-30)18-28(34(47)50-31-24-39(10,11)43(16)40(12,13)25-31)19-32(45)48-29-20-35(2,3)41(14)36(4,5)21-29/h27-31H,17-25H2,1-16H3.
What are the key properties of tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate?
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate has a molecular weight of 706.02 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate is sourced from PubChem (CID 18715866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).