[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate

C24H37NO4 — CID 139895201

IUPAC[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
SMILESC=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(C)CC2(C)C)cc1
InChIInChI=1S/C24H37NO4/c1-9-19-10-12-20(13-11-19)21(16-27-22(26)28-17(2)3)29-25-23(5,6)14-18(4)15-24(25,7)8/h9-13,17-18,21H,1,14-16H2,2-8H3
InChIKeyLXBZEURWXLJVRF-UHFFFAOYSA-N
MW403.56 g/mol
LogP6.15
Rot. Bonds7

About [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate

[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate (PubChem CID 139895201) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate.

Molecular Properties

Compound Name[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
PubChem CID139895201
Molecular FormulaC24H37NO4
Molecular Weight403.56 g/mol
Exact Mass403.27
IUPAC Name[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
SMILESC=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(C)CC2(C)C)cc1
InChIInChI=1S/C24H37NO4/c1-9-19-10-12-20(13-11-19)21(16-27-22(26)28-17(2)3)29-25-23(5,6)14-18(4)15-24(25,7)8/h9-13,17-18,21H,1,14-16H2,2-8H3
InChIKeyLXBZEURWXLJVRF-UHFFFAOYSA-N
XLogP6.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
CID 139895200
[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 20816556
[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate
CID 139826886
[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 139879930
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
1-(1-hydroxypropan-2-yloxy)-2,2,6,6-tetramethylpiperidin-4-ol;styrene
CID 160683791
1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 163543719
2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 102082224
4-[1-(2-dodecanoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
CID 139948137
1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate
CID 118199261
1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene
CID 139791979
1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
CID 67933670

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
The IUPAC name of [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate (CID 139895201) is [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate.
What is the SMILES notation for [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
The canonical SMILES for [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate is C=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(C)CC2(C)C)cc1.
What is the InChIKey of [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
The InChIKey is LXBZEURWXLJVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO4/c1-9-19-10-12-20(13-11-19)21(16-27-22(26)28-17(2)3)29-25-23(5,6)14-18(4)15-24(25,7)8/h9-13,17-18,21H,1,14-16H2,2-8H3.
What are the key properties of [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate has a molecular weight of 403.56 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate is sourced from PubChem (CID 139895201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).