dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate

C10H16O4Si — CID 24754702

IUPACdimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C1[Si](C)(C)C
InChIInChI=1S/C10H16O4Si/c1-13-8(11)10(9(12)14-2)6-7(10)15(3,4)5/h6H,1-5H3
InChIKeyFPCIWSVQIRUICZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.14
Rot. Bonds3

About dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate

dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate (PubChem CID 24754702) has the molecular formula C10H16O4Si and a molecular weight of 228.32 g/mol. Its IUPAC name is dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
PubChem CID24754702
Molecular FormulaC10H16O4Si
Molecular Weight228.32 g/mol
Exact Mass228.08
IUPAC Namedimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C1[Si](C)(C)C
InChIInChI=1S/C10H16O4Si/c1-13-8(11)10(9(12)14-2)6-7(10)15(3,4)5/h6H,1-5H3
InChIKeyFPCIWSVQIRUICZ-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 1,2,3-tris(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 15932823
dimethyl 2-(4-methylphenyl)cycloprop-2-ene-1,1-dicarboxylate
CID 102465402
dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806
dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate
CID 101449757
methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate
CID 100999767
dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101364484
methyl (1'S,2'S,6'R,7'R)-5,5-dimethyl-7',9'-bis(trimethylsilyl)spiro[1,3-dioxane-2,10'-3-azatricyclo[5.2.1.02,6]deca-3,8-diene]-1'-carboxylate
CID 102253825
methyl 2-(methylamino)azirine-2-carboxylate
CID 123478198
dimethyl 4-methyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate
CID 167304350
methyl 3-methyloxaziridine-3-carboxylate
CID 54398424
methyl 3-fluorodiazirine-3-carboxylate
CID 101357816
dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 11558617

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate (CID 24754702) is dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C=C1[Si](C)(C)C.
What is the InChIKey of dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate?
The InChIKey is FPCIWSVQIRUICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4Si/c1-13-8(11)10(9(12)14-2)6-7(10)15(3,4)5/h6H,1-5H3.
What are the key properties of dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate?
dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate has a molecular weight of 228.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 24754702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).