ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate

C9H16O2Si — CID 10910226

IUPACethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1([Si](C)(C)C)C=C1
InChIInChI=1S/C9H16O2Si/c1-5-11-8(10)9(6-7-9)12(2,3)4/h6-7H,5H2,1-4H3
InChIKeyXVFSCSPJYLTGSJ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.20
Rot. Bonds3

About ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate

ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 10910226) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID10910226
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Nameethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1([Si](C)(C)C)C=C1
InChIInChI=1S/C9H16O2Si/c1-5-11-8(10)9(6-7-9)12(2,3)4/h6-7H,5H2,1-4H3
InChIKeyXVFSCSPJYLTGSJ-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 10910226) is ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate is CCOC(=O)C1([Si](C)(C)C)C=C1.
What is the InChIKey of ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is XVFSCSPJYLTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-5-11-8(10)9(6-7-9)12(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 184.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 10910226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).