bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate

C24H42N2O5 — CID 4085097

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate
SMILESCCOC=C(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H42N2O5/c1-10-29-15-18(19(27)30-16-11-21(2,3)25-22(4,5)12-16)20(28)31-17-13-23(6,7)26-24(8,9)14-17/h15-17,25-26H,10-14H2,1-9H3
InChIKeyGAGWZOFKGWHNAP-UHFFFAOYSA-N
MW438.61 g/mol
LogP3.61
Rot. Bonds6

About bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate (PubChem CID 4085097) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate
PubChem CID4085097
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate
SMILESCCOC=C(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H42N2O5/c1-10-29-15-18(19(27)30-16-11-21(2,3)25-22(4,5)12-16)20(28)31-17-13-23(6,7)26-24(8,9)14-17/h15-17,25-26H,10-14H2,1-9H3
InChIKeyGAGWZOFKGWHNAP-UHFFFAOYSA-N
XLogP3.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate (CID 4085097) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate is CCOC=C(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate?
The InChIKey is GAGWZOFKGWHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-10-29-15-18(19(27)30-16-11-21(2,3)25-22(4,5)12-16)20(28)31-17-13-23(6,7)26-24(8,9)14-17/h15-17,25-26H,10-14H2,1-9H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate has a molecular weight of 438.61 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(ethoxymethylidene)propanedioate is sourced from PubChem (CID 4085097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).