11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate

C60H110N4O8 — CID 121247917

IUPAC11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate
SMILESCC(C)C1(C)CC(C(=O)OCCCCCCCCCCC(OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)C(OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C60H110N4O8/c1-39(2)57(17)35-43(31-53(9,10)61-57)48(65)69-30-28-26-24-22-21-23-25-27-29-47(70-49(66)44-32-54(11,12)62-58(18,36-44)40(3)4)52(71-50(67)45-33-55(13,14)63-59(19,37-45)41(5)6)72-51(68)46-34-56(15,16)64-60(20,38-46)42(7)8/h39-47,52,61-64H,21-38H2,1-20H3
InChIKeyVKLWELYVQKYEAO-UHFFFAOYSA-N
MW1015.56 g/mol
LogP12.14
Rot. Bonds23

About 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate

11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate (PubChem CID 121247917) has the molecular formula C60H110N4O8 and a molecular weight of 1015.56 g/mol. Its IUPAC name is 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate
PubChem CID121247917
Molecular FormulaC60H110N4O8
Molecular Weight1015.56 g/mol
Exact Mass1014.83
IUPAC Name11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate
SMILESCC(C)C1(C)CC(C(=O)OCCCCCCCCCCC(OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)C(OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C60H110N4O8/c1-39(2)57(17)35-43(31-53(9,10)61-57)48(65)69-30-28-26-24-22-21-23-25-27-29-47(70-49(66)44-32-54(11,12)62-58(18,36-44)40(3)4)52(71-50(67)45-33-55(13,14)63-59(19,37-45)41(5)6)72-51(68)46-34-56(15,16)64-60(20,38-46)42(7)8/h39-47,52,61-64H,21-38H2,1-20H3
InChIKeyVKLWELYVQKYEAO-UHFFFAOYSA-N
XLogP12.14
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.56
LogP ≤ 512.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate (CID 121247917) is 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate is CC(C)C1(C)CC(C(=O)OCCCCCCCCCCC(OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)C(OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)OC(=O)C2CC(C)(C)NC(C)(C(C)C)C2)CC(C)(C)N1.
What is the InChIKey of 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is VKLWELYVQKYEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H110N4O8/c1-39(2)57(17)35-43(31-53(9,10)61-57)48(65)69-30-28-26-24-22-21-23-25-27-29-47(70-49(66)44-32-54(11,12)62-58(18,36-44)40(3)4)52(71-50(67)45-33-55(13,14)63-59(19,37-45)41(5)6)72-51(68)46-34-56(15,16)64-60(20,38-46)42(7)8/h39-47,52,61-64H,21-38H2,1-20H3.
What are the key properties of 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate?
11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 1015.56 g/mol, XLogP of 12.14, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12,12-tris[(2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carbonyl)oxy]dodecyl 2,2,6-trimethyl-6-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 121247917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).