2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate

C48H87N3O8 — CID 6365990

IUPAC2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
SMILESCCCCCCCCCCCCCOC(=O)CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C48H87N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-56-39(52)26-37(41(54)58-35-30-45(6,7)50-46(8,9)31-35)38(42(55)59-36-32-47(10,11)51-48(12,13)33-36)27-40(53)57-34-28-43(2,3)49-44(4,5)29-34/h34-38,49-51H,14-33H2,1-13H3
InChIKeyAOQPXBOBUMGDLG-UHFFFAOYSA-N
MW834.24 g/mol
LogP9.41
Rot. Bonds22

About 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate

2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate (PubChem CID 6365990) has the molecular formula C48H87N3O8 and a molecular weight of 834.24 g/mol. Its IUPAC name is 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Name2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
PubChem CID6365990
Molecular FormulaC48H87N3O8
Molecular Weight834.24 g/mol
Exact Mass833.65
IUPAC Name2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate
SMILESCCCCCCCCCCCCCOC(=O)CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C48H87N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-56-39(52)26-37(41(54)58-35-30-45(6,7)50-46(8,9)31-35)38(42(55)59-36-32-47(10,11)51-48(12,13)33-36)27-40(53)57-34-28-43(2,3)49-44(4,5)29-34/h34-38,49-51H,14-33H2,1-13H3
InChIKeyAOQPXBOBUMGDLG-UHFFFAOYSA-N
XLogP9.41
TPSA141.29 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.24
LogP ≤ 59.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

3-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,2,3,4-tetracarboxylate
CID 58004425
2-O-(3,3,5,5-tetramethylcyclohexyl) 1-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
CID 58322136
1-O,2-O,3-O-tris(2,2-dimethyl-6-methylidenepiperidin-4-yl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate
CID 70371998
3-O-heptyl 2-O-hexyl 4-O-octyl 1-O-pentyl butane-1,2,3,4-tetracarboxylate
CID 21014875
1,10-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,10-dione;tetrapiperidin-4-yl butane-1,2,3,4-tetracarboxylate
CID 91331242
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[4-[4,4-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonyl]octoxy]-4-oxobutanoyl]oxypropyl]-2-butylpropanedioate;tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate;(2,2,6,6-tetramethylpiperidin-4-yl) 5-[3,4-bis[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl]phenyl]pentanoate
CID 160616728
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
nonyl 3-methylbutanoate
CID 5463914
1-O-(2-hydroxyethyl) 4-O-(2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 70364233
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268

Frequently Asked Questions

What is the IUPAC name of 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate?
The IUPAC name of 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate (CID 6365990) is 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate is CCCCCCCCCCCCCOC(=O)CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate?
The InChIKey is AOQPXBOBUMGDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H87N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-56-39(52)26-37(41(54)58-35-30-45(6,7)50-46(8,9)31-35)38(42(55)59-36-32-47(10,11)51-48(12,13)33-36)27-40(53)57-34-28-43(2,3)49-44(4,5)29-34/h34-38,49-51H,14-33H2,1-13H3.
What are the key properties of 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate?
2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate has a molecular weight of 834.24 g/mol, XLogP of 9.41, 22 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O,3-O,4-O-tris(2,2,6,6-tetramethylpiperidin-4-yl) 1-O-tridecyl butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 6365990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).