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

C10H18O2Si — CID 565001

IUPACmethyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C10H18O2Si/c1-6-7-8(10(11)12-2)9(7)13(3,4)5/h8H,6H2,1-5H3
InChIKeyYRHUNXDOQPQGJB-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.37
Rot. Bonds3

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

methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 565001) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID565001
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Namemethyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C10H18O2Si/c1-6-7-8(10(11)12-2)9(7)13(3,4)5/h8H,6H2,1-5H3
InChIKeyYRHUNXDOQPQGJB-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'}

Analyze methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 565001) is methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is CCC1=C([Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is YRHUNXDOQPQGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-6-7-8(10(11)12-2)9(7)13(3,4)5/h8H,6H2,1-5H3.
What are the key properties of methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2-ethyl-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 methyl 2-ethyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 565001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).