2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate

C17H31NO5Si — CID 152964085

IUPAC2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate
SMILESCC1(C)OCC(C)(C)C(C(=O)N/C=C/C(=O)OCC[Si](C)(C)C)O1
InChIInChI=1S/C17H31NO5Si/c1-16(2)12-22-17(3,4)23-14(16)15(20)18-9-8-13(19)21-10-11-24(5,6)7/h8-9,14H,10-12H2,1-7H3,(H,18,20)/b9-8+
InChIKeyURDYXAJSZYFXKZ-CMDGGOBGSA-N
MW357.52 g/mol
LogP2.68
Rot. Bonds6

About 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate

2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate (PubChem CID 152964085) has the molecular formula C17H31NO5Si and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate
PubChem CID152964085
Molecular FormulaC17H31NO5Si
Molecular Weight357.52 g/mol
Exact Mass357.20
IUPAC Name2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate
SMILESCC1(C)OCC(C)(C)C(C(=O)N/C=C/C(=O)OCC[Si](C)(C)C)O1
InChIInChI=1S/C17H31NO5Si/c1-16(2)12-22-17(3,4)23-14(16)15(20)18-9-8-13(19)21-10-11-24(5,6)7/h8-9,14H,10-12H2,1-7H3,(H,18,20)/b9-8+
InChIKeyURDYXAJSZYFXKZ-CMDGGOBGSA-N
XLogP2.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate?
The IUPAC name of 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate (CID 152964085) is 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate.
What is the SMILES notation for 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate?
The canonical SMILES for 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate is CC1(C)OCC(C)(C)C(C(=O)N/C=C/C(=O)OCC[Si](C)(C)C)O1.
What is the InChIKey of 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate?
The InChIKey is URDYXAJSZYFXKZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H31NO5Si/c1-16(2)12-22-17(3,4)23-14(16)15(20)18-9-8-13(19)21-10-11-24(5,6)7/h8-9,14H,10-12H2,1-7H3,(H,18,20)/b9-8+.
What are the key properties of 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate?
2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate has a molecular weight of 357.52 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (E)-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]prop-2-enoate is sourced from PubChem (CID 152964085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).