dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate

C13H22O4Si — CID 552556

IUPACdimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate
SMILESCOC(=O)C1C=C(C[Si](C)(C)C)CC1C(=O)OC
InChIInChI=1S/C13H22O4Si/c1-16-12(14)10-6-9(8-18(3,4)5)7-11(10)13(15)17-2/h6,10-11H,7-8H2,1-5H3
InChIKeyGUIJCEJSJJTIRE-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.23
Rot. Bonds4

About dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate

dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate (PubChem CID 552556) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate
PubChem CID552556
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namedimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate
SMILESCOC(=O)C1C=C(C[Si](C)(C)C)CC1C(=O)OC
InChIInChI=1S/C13H22O4Si/c1-16-12(14)10-6-9(8-18(3,4)5)7-11(10)13(15)17-2/h6,10-11H,7-8H2,1-5H3
InChIKeyGUIJCEJSJJTIRE-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate (CID 552556) is dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate is COC(=O)C1C=C(C[Si](C)(C)C)CC1C(=O)OC.
What is the InChIKey of dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate?
The InChIKey is GUIJCEJSJJTIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-16-12(14)10-6-9(8-18(3,4)5)7-11(10)13(15)17-2/h6,10-11H,7-8H2,1-5H3.
What are the key properties of dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate?
dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(trimethylsilylmethyl)cyclopent-3-ene-1,2-dicarboxylate is sourced from PubChem (CID 552556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).