[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate

C25H37NO6 — CID 20816556

IUPAC[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
SMILESC=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(OC(C)=O)CC2(C)C)cc1
InChIInChI=1S/C25H37NO6/c1-9-19-10-12-20(13-11-19)22(16-29-23(28)30-17(2)3)32-26-24(5,6)14-21(31-18(4)27)15-25(26,7)8/h9-13,17,21-22H,1,14-16H2,2-8H3
InChIKeyKCRQEFUQCLEOLO-UHFFFAOYSA-N
MW447.57 g/mol
LogP5.45
Rot. Bonds8

About [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate

[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate (PubChem CID 20816556) has the molecular formula C25H37NO6 and a molecular weight of 447.57 g/mol. Its IUPAC name is [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
PubChem CID20816556
Molecular FormulaC25H37NO6
Molecular Weight447.57 g/mol
Exact Mass447.26
IUPAC Name[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
SMILESC=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(OC(C)=O)CC2(C)C)cc1
InChIInChI=1S/C25H37NO6/c1-9-19-10-12-20(13-11-19)22(16-29-23(28)30-17(2)3)32-26-24(5,6)14-21(31-18(4)27)15-25(26,7)8/h9-13,17,21-22H,1,14-16H2,2-8H3
InChIKeyKCRQEFUQCLEOLO-UHFFFAOYSA-N
XLogP5.45
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate with MolForge

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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
[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
CID 139895201
[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 139879930
[2-(4-ethenylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 1-ethoxyethyl carbonate
CID 139826886
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
CID 101373916
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-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
CID 20771162
1-(1-hydroxypropan-2-yloxy)-2,2,6,6-tetramethylpiperidin-4-ol;styrene
CID 160683791

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
The IUPAC name of [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate (CID 20816556) is [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate.
What is the SMILES notation for [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
The canonical SMILES for [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate is C=Cc1ccc(C(COC(=O)OC(C)C)ON2C(C)(C)CC(OC(C)=O)CC2(C)C)cc1.
What is the InChIKey of [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
The InChIKey is KCRQEFUQCLEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO6/c1-9-19-10-12-20(13-11-19)22(16-29-23(28)30-17(2)3)32-26-24(5,6)14-21(31-18(4)27)15-25(26,7)8/h9-13,17,21-22H,1,14-16H2,2-8H3.
What are the key properties of [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate?
[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate has a molecular weight of 447.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate is sourced from PubChem (CID 20816556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).