prop-2-enoyl 3-silylprop-2-enoate

C6H8O3Si — CID 154402540

IUPACprop-2-enoyl 3-silylprop-2-enoate
SMILESC=CC(=O)OC(=O)C=C[SiH3]
InChIInChI=1S/C6H8O3Si/c1-2-5(7)9-6(8)3-4-10/h2-4H,1H2,10H3
InChIKeyRJYVAZXJNGXEKZ-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.88
Rot. Bonds2

About prop-2-enoyl 3-silylprop-2-enoate

prop-2-enoyl 3-silylprop-2-enoate (PubChem CID 154402540) has the molecular formula C6H8O3Si and a molecular weight of 156.21 g/mol. Its IUPAC name is prop-2-enoyl 3-silylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoyl 3-silylprop-2-enoate
PubChem CID154402540
Molecular FormulaC6H8O3Si
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Nameprop-2-enoyl 3-silylprop-2-enoate
SMILESC=CC(=O)OC(=O)C=C[SiH3]
InChIInChI=1S/C6H8O3Si/c1-2-5(7)9-6(8)3-4-10/h2-4H,1H2,10H3
InChIKeyRJYVAZXJNGXEKZ-UHFFFAOYSA-N
XLogP-0.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 prop-2-enoyl 3-silylprop-2-enoate?
The IUPAC name of prop-2-enoyl 3-silylprop-2-enoate (CID 154402540) is prop-2-enoyl 3-silylprop-2-enoate.
What is the SMILES notation for prop-2-enoyl 3-silylprop-2-enoate?
The canonical SMILES for prop-2-enoyl 3-silylprop-2-enoate is C=CC(=O)OC(=O)C=C[SiH3].
What is the InChIKey of prop-2-enoyl 3-silylprop-2-enoate?
The InChIKey is RJYVAZXJNGXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3Si/c1-2-5(7)9-6(8)3-4-10/h2-4H,1H2,10H3.
What are the key properties of prop-2-enoyl 3-silylprop-2-enoate?
prop-2-enoyl 3-silylprop-2-enoate has a molecular weight of 156.21 g/mol, XLogP of -0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 3-silylprop-2-enoate is sourced from PubChem (CID 154402540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).