methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C11H18O2Si — CID 552552

IUPACmethyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESC=CCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H18O2Si/c1-6-7-8-9(11(12)13-2)10(8)14(3,4)5/h6,9H,1,7H2,2-5H3
InChIKeyACSAMNLSOIOMQW-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.54
Rot. Bonds4

About methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 552552) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID552552
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESC=CCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H18O2Si/c1-6-7-8-9(11(12)13-2)10(8)14(3,4)5/h6,9H,1,7H2,2-5H3
InChIKeyACSAMNLSOIOMQW-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 552552) is methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is C=CCC1=C([Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is ACSAMNLSOIOMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-6-7-8-9(11(12)13-2)10(8)14(3,4)5/h6,9H,1,7H2,2-5H3.
What are the key properties of methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 210.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 552552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).