2-trimethylsilylethyl prop-2-enoate

C8H16O2Si — CID 22182288

IUPAC2-trimethylsilylethyl prop-2-enoate
SMILESC=CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-8(9)10-6-7-11(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyDSAIVCBAXVUTDU-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.05
Rot. Bonds4

About 2-trimethylsilylethyl prop-2-enoate

2-trimethylsilylethyl prop-2-enoate (PubChem CID 22182288) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-trimethylsilylethyl prop-2-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl prop-2-enoate
PubChem CID22182288
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name2-trimethylsilylethyl prop-2-enoate
SMILESC=CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-8(9)10-6-7-11(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyDSAIVCBAXVUTDU-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.05
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 2-trimethylsilylethyl prop-2-enoate?
The IUPAC name of 2-trimethylsilylethyl prop-2-enoate (CID 22182288) is 2-trimethylsilylethyl prop-2-enoate.
What is the SMILES notation for 2-trimethylsilylethyl prop-2-enoate?
The canonical SMILES for 2-trimethylsilylethyl prop-2-enoate is C=CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl prop-2-enoate?
The InChIKey is DSAIVCBAXVUTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-5-8(9)10-6-7-11(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-trimethylsilylethyl prop-2-enoate?
2-trimethylsilylethyl prop-2-enoate has a molecular weight of 172.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl prop-2-enoate is sourced from PubChem (CID 22182288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).