ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C10H18O2Si — CID 11183231

IUPACethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(C)=C1[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-6-12-10(11)8-7(2)9(8)13(3,4)5/h8H,6H2,1-5H3
InChIKeyBGBMQGQGKNVNPV-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.37
Rot. Bonds3

About ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 11183231) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID11183231
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Nameethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(C)=C1[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-6-12-10(11)8-7(2)9(8)13(3,4)5/h8H,6H2,1-5H3
InChIKeyBGBMQGQGKNVNPV-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 11183231) is ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is CCOC(=O)C1C(C)=C1[Si](C)(C)C.
What is the InChIKey of ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is BGBMQGQGKNVNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-6-12-10(11)8-7(2)9(8)13(3,4)5/h8H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 198.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 11183231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).