methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate

C12H22O2Si — CID 45095602

IUPACmethyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCC1=C(CC)C1(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-9-10(8-2)12(9,11(13)14-3)15(4,5)6/h7-8H2,1-6H3
InChIKeyGZNZKQFZIKHYOG-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.37
Rot. Bonds4

About methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 45095602) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID45095602
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namemethyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCC1=C(CC)C1(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-9-10(8-2)12(9,11(13)14-3)15(4,5)6/h7-8H2,1-6H3
InChIKeyGZNZKQFZIKHYOG-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.37
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 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 45095602) is methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate is CCC1=C(CC)C1(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is GZNZKQFZIKHYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-9-10(8-2)12(9,11(13)14-3)15(4,5)6/h7-8H2,1-6H3.
What are the key properties of methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 226.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 45095602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).