bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate

C29H50N2O4 — CID 20512162

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate
SMILESC=C(C)CC(CC(=C)C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H50N2O4/c1-19(2)13-29(14-20(3)4,23(32)34-21-15-25(5,6)30-26(7,8)16-21)24(33)35-22-17-27(9,10)31-28(11,12)18-22/h21-22,30-31H,1,3,13-18H2,2,4-12H3
InChIKeyBIOZGLZVTIDRHN-UHFFFAOYSA-N
MW490.73 g/mol
LogP5.61
Rot. Bonds8

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

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate (PubChem CID 20512162) has the molecular formula C29H50N2O4 and a molecular weight of 490.73 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate
PubChem CID20512162
Molecular FormulaC29H50N2O4
Molecular Weight490.73 g/mol
Exact Mass490.38
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate
SMILESC=C(C)CC(CC(=C)C)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H50N2O4/c1-19(2)13-29(14-20(3)4,23(32)34-21-15-25(5,6)30-26(7,8)16-21)24(33)35-22-17-27(9,10)31-28(11,12)18-22/h21-22,30-31H,1,3,13-18H2,2,4-12H3
InChIKeyBIOZGLZVTIDRHN-UHFFFAOYSA-N
XLogP5.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate (CID 20512162) is bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate is C=C(C)CC(CC(=C)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) 2,2-bis(2-methylprop-2-enyl)propanedioate?
The InChIKey is BIOZGLZVTIDRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N2O4/c1-19(2)13-29(14-20(3)4,23(32)34-21-15-25(5,6)30-26(7,8)16-21)24(33)35-22-17-27(9,10)31-28(11,12)18-22/h21-22,30-31H,1,3,13-18H2,2,4-12H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate has a molecular weight of 490.73 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-bis(2-methylprop-2-enyl)propanedioate is sourced from PubChem (CID 20512162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).