methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C11H18O2Si — CID 560702

IUPACmethyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESC=C(C)C1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H18O2Si/c1-7(2)8-9(11(12)13-3)10(8)14(4,5)6/h9H,1H2,2-6H3
InChIKeyLPNKHCKUJYBUET-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.54
Rot. Bonds3

About methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 560702) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID560702
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESC=C(C)C1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H18O2Si/c1-7(2)8-9(11(12)13-3)10(8)14(4,5)6/h9H,1H2,2-6H3
InChIKeyLPNKHCKUJYBUET-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-prop-1-en-2-yl-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-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 560702) is methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is C=C(C)C1=C([Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is LPNKHCKUJYBUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-7(2)8-9(11(12)13-3)10(8)14(4,5)6/h9H,1H2,2-6H3.
What are the key properties of methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 210.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-en-2-yl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 560702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).