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

C24H37NO5 — CID 139895200

IUPAC[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
SMILESC=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(OC)CC2(C)C)cc1
InChIInChI=1S/C24H37NO5/c1-9-18-10-12-19(13-11-18)21(16-28-22(26)29-17(2)3)30-25-23(4,5)14-20(27-8)15-24(25,6)7/h9-13,17,20-21H,1,14-16H2,2-8H3
InChIKeyXTTDXKWVQHKUFU-UHFFFAOYSA-N
MW419.56 g/mol
LogP5.53
Rot. Bonds8

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

[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate (PubChem CID 139895200) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate.

Molecular Properties

Compound Name[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
PubChem CID139895200
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Name[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
SMILESC=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(OC)CC2(C)C)cc1
InChIInChI=1S/C24H37NO5/c1-9-18-10-12-19(13-11-18)21(16-28-22(26)29-17(2)3)30-25-23(4,5)14-20(27-8)15-24(25,6)7/h9-13,17,20-21H,1,14-16H2,2-8H3
InChIKeyXTTDXKWVQHKUFU-UHFFFAOYSA-N
XLogP5.53
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.56
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 20816556
[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
CID 139895201
[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
2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 102082224
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
4-[1-(2-dodecanoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
CID 139948137
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
1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
CID 158307203
1-(4-ethenylphenoxy)-3-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxypropan-2-ol
CID 54197471
1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate
CID 118199261

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
The IUPAC name of [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate (CID 139895200) is [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate.
What is the SMILES notation for [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
The canonical SMILES for [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate is C=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(OC)CC2(C)C)cc1.
What is the InChIKey of [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
The InChIKey is XTTDXKWVQHKUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5/c1-9-18-10-12-19(13-11-18)21(16-28-22(26)29-17(2)3)30-25-23(4,5)14-20(27-8)15-24(25,6)7/h9-13,17,20-21H,1,14-16H2,2-8H3.
What are the key properties of [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate?
[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate has a molecular weight of 419.56 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate is sourced from PubChem (CID 139895200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).