tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate

C16H32O5Si — CID 154720228

IUPACtert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate
SMILESCCO[Si](C/C=C(\C)CC(=O)OC(C)(C)C)(OCC)OCC
InChIInChI=1S/C16H32O5Si/c1-8-18-22(19-9-2,20-10-3)12-11-14(4)13-15(17)21-16(5,6)7/h11H,8-10,12-13H2,1-7H3/b14-11+
InChIKeyICVFSUACERBNPU-SDNWHVSQSA-N
MW332.51 g/mol
LogP3.71
Rot. Bonds10

About tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate

tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate (PubChem CID 154720228) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate
PubChem CID154720228
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Nametert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate
SMILESCCO[Si](C/C=C(\C)CC(=O)OC(C)(C)C)(OCC)OCC
InChIInChI=1S/C16H32O5Si/c1-8-18-22(19-9-2,20-10-3)12-11-14(4)13-15(17)21-16(5,6)7/h11H,8-10,12-13H2,1-7H3/b14-11+
InChIKeyICVFSUACERBNPU-SDNWHVSQSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate?
The IUPAC name of tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate (CID 154720228) is tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate.
What is the SMILES notation for tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate?
The canonical SMILES for tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate is CCO[Si](C/C=C(\C)CC(=O)OC(C)(C)C)(OCC)OCC.
What is the InChIKey of tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate?
The InChIKey is ICVFSUACERBNPU-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-8-18-22(19-9-2,20-10-3)12-11-14(4)13-15(17)21-16(5,6)7/h11H,8-10,12-13H2,1-7H3/b14-11+.
What are the key properties of tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate?
tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate has a molecular weight of 332.51 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate is sourced from PubChem (CID 154720228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).