ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate

C11H20O2Si — CID 134861720

IUPACethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)[C@]1(CC)C=C1[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-11(10(12)13-7-2)8-9(11)14(3,4)5/h8H,6-7H2,1-5H3/t11-/m1/s1
InChIKeyJLUKIRNIJHARMU-LLVKDONJSA-N
MW212.36 g/mol
LogP2.76
Rot. Bonds4

About ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate

ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 134861720) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID134861720
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nameethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)[C@]1(CC)C=C1[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-11(10(12)13-7-2)8-9(11)14(3,4)5/h8H,6-7H2,1-5H3/t11-/m1/s1
InChIKeyJLUKIRNIJHARMU-LLVKDONJSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.76
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 (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 134861720) is ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate is CCOC(=O)[C@]1(CC)C=C1[Si](C)(C)C.
What is the InChIKey of ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is JLUKIRNIJHARMU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-11(10(12)13-7-2)8-9(11)14(3,4)5/h8H,6-7H2,1-5H3/t11-/m1/s1.
What are the key properties of ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate?
ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-ethyl-2-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 134861720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).