[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate

C16H31Cl2NO4Si — CID 58418976

IUPAC[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
SMILESCOC1CC(C)(C)N(OC(C)(C)C(=O)OC[Si](C)(Cl)Cl)C(C)(C)C1
InChIInChI=1S/C16H31Cl2NO4Si/c1-14(2)9-12(21-7)10-15(3,4)19(14)23-16(5,6)13(20)22-11-24(8,17)18/h12H,9-11H2,1-8H3
InChIKeyNMVURJJFSUGSGY-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.00
Rot. Bonds6

About [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate

[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate (PubChem CID 58418976) has the molecular formula C16H31Cl2NO4Si and a molecular weight of 400.42 g/mol. Its IUPAC name is [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Name[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
PubChem CID58418976
Molecular FormulaC16H31Cl2NO4Si
Molecular Weight400.42 g/mol
Exact Mass399.14
IUPAC Name[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate
SMILESCOC1CC(C)(C)N(OC(C)(C)C(=O)OC[Si](C)(Cl)Cl)C(C)(C)C1
InChIInChI=1S/C16H31Cl2NO4Si/c1-14(2)9-12(21-7)10-15(3,4)19(14)23-16(5,6)13(20)22-11-24(8,17)18/h12H,9-11H2,1-8H3
InChIKeyNMVURJJFSUGSGY-UHFFFAOYSA-N
XLogP4.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
The IUPAC name of [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate (CID 58418976) is [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate.
What is the SMILES notation for [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
The canonical SMILES for [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate is COC1CC(C)(C)N(OC(C)(C)C(=O)OC[Si](C)(Cl)Cl)C(C)(C)C1.
What is the InChIKey of [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
The InChIKey is NMVURJJFSUGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31Cl2NO4Si/c1-14(2)9-12(21-7)10-15(3,4)19(14)23-16(5,6)13(20)22-11-24(8,17)18/h12H,9-11H2,1-8H3.
What are the key properties of [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate?
[dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate has a molecular weight of 400.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(methyl)silyl]methyl 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 58418976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).