10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate

C30H54N2O4 — CID 122433569

IUPAC10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
SMILESCCC(CCCCCCCC(=O)OC12CC(C)(C)N1C(C)(C)C2)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H54N2O4/c1-10-22(25(34)35-23-18-26(2,3)31-27(4,5)19-23)16-14-12-11-13-15-17-24(33)36-30-20-28(6,7)32(30)29(8,9)21-30/h22-23,31H,10-21H2,1-9H3
InChIKeyXDJQXNZUIPYLKC-UHFFFAOYSA-N
MW506.77 g/mol
LogP6.50
Rot. Bonds12

About 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate

10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate (PubChem CID 122433569) has the molecular formula C30H54N2O4 and a molecular weight of 506.77 g/mol. Its IUPAC name is 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate.

Molecular Properties

Compound Name10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
PubChem CID122433569
Molecular FormulaC30H54N2O4
Molecular Weight506.77 g/mol
Exact Mass506.41
IUPAC Name10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
SMILESCCC(CCCCCCCC(=O)OC12CC(C)(C)N1C(C)(C)C2)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H54N2O4/c1-10-22(25(34)35-23-18-26(2,3)31-27(4,5)19-23)16-14-12-11-13-15-17-24(33)36-30-20-28(6,7)32(30)29(8,9)21-30/h22-23,31H,10-21H2,1-9H3
InChIKeyXDJQXNZUIPYLKC-UHFFFAOYSA-N
XLogP6.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.77
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate with MolForge

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887
CID 140704439
CID 140704439
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
2-(benzotriazol-2-yl)-4-methylphenol;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;1-O-(3,3,5,5-tetramethylcyclohexyl) 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;1-O-(3,3,5,5-tetramethylcyclohexyl) 10-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 160641601
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
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
(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
CID 71130144

Frequently Asked Questions

What is the IUPAC name of 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate?
The IUPAC name of 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate (CID 122433569) is 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate.
What is the SMILES notation for 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate?
The canonical SMILES for 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate is CCC(CCCCCCCC(=O)OC12CC(C)(C)N1C(C)(C)C2)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate?
The InChIKey is XDJQXNZUIPYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N2O4/c1-10-22(25(34)35-23-18-26(2,3)31-27(4,5)19-23)16-14-12-11-13-15-17-24(33)36-30-20-28(6,7)32(30)29(8,9)21-30/h22-23,31H,10-21H2,1-9H3.
What are the key properties of 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate?
10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate has a molecular weight of 506.77 g/mol, XLogP of 6.50, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate is sourced from PubChem (CID 122433569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).