tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate

C16H24O2Si — CID 164510966

IUPACtert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H24O2Si/c1-12(15(17)18-16(2,3)4)13-8-10-14(11-9-13)19(5,6)7/h8-11H,1H2,2-7H3
InChIKeyXYCPZAYOKVWIJJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.59
Rot. Bonds3

About tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate

tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate (PubChem CID 164510966) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate
PubChem CID164510966
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H24O2Si/c1-12(15(17)18-16(2,3)4)13-8-10-14(11-9-13)19(5,6)7/h8-11H,1H2,2-7H3
InChIKeyXYCPZAYOKVWIJJ-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate?
The IUPAC name of tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate (CID 164510966) is tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate.
What is the SMILES notation for tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate?
The canonical SMILES for tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate is C=C(C(=O)OC(C)(C)C)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate?
The InChIKey is XYCPZAYOKVWIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-12(15(17)18-16(2,3)4)13-8-10-14(11-9-13)19(5,6)7/h8-11H,1H2,2-7H3.
What are the key properties of tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate?
tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate has a molecular weight of 276.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate is sourced from PubChem (CID 164510966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).