[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate

C24H37NO5 — CID 139826886

IUPAC[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate
SMILESC=Cc1ccc(C(COC(=O)OC(C)OCC)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C24H37NO5/c1-8-19-11-13-20(14-12-19)21(17-28-22(26)29-18(3)27-9-2)30-25-23(4,5)15-10-16-24(25,6)7/h8,11-14,18,21H,1,9-10,15-17H2,2-7H3
InChIKeyWZEOIKZPNPZFCU-UHFFFAOYSA-N
MW419.56 g/mol
LogP5.88
Rot. Bonds9

About [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate

[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate (PubChem CID 139826886) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate.

Molecular Properties

Compound Name[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate
PubChem CID139826886
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Name[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate
SMILESC=Cc1ccc(C(COC(=O)OC(C)OCC)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C24H37NO5/c1-8-19-11-13-20(14-12-19)21(17-28-22(26)29-18(3)27-9-2)30-25-23(4,5)15-10-16-24(25,6)7/h8,11-14,18,21H,1,9-10,15-17H2,2-7H3
InChIKeyWZEOIKZPNPZFCU-UHFFFAOYSA-N
XLogP5.88
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.56
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate?
The IUPAC name of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate (CID 139826886) is [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate.
What is the SMILES notation for [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate?
The canonical SMILES for [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate is C=Cc1ccc(C(COC(=O)OC(C)OCC)ON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate?
The InChIKey is WZEOIKZPNPZFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5/c1-8-19-11-13-20(14-12-19)21(17-28-22(26)29-18(3)27-9-2)30-25-23(4,5)15-10-16-24(25,6)7/h8,11-14,18,21H,1,9-10,15-17H2,2-7H3.
What are the key properties of [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate?
[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate has a molecular weight of 419.56 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate is sourced from PubChem (CID 139826886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).