dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

C13H22O5Si — CID 22467099

IUPACdimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCOC(=O)C1CC=CC(O[Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C13H22O5Si/c1-16-12(14)9-7-6-8-10(18-19(3,4)5)11(9)13(15)17-2/h6,8-11H,7H2,1-5H3
InChIKeySUEFVABHOCFDKD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.74
Rot. Bonds4

About dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate

dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (PubChem CID 22467099) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
PubChem CID22467099
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namedimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
SMILESCOC(=O)C1CC=CC(O[Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C13H22O5Si/c1-16-12(14)9-7-6-8-10(18-19(3,4)5)11(9)13(15)17-2/h6,8-11H,7H2,1-5H3
InChIKeySUEFVABHOCFDKD-UHFFFAOYSA-N
XLogP1.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate (CID 22467099) is dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is COC(=O)C1CC=CC(O[Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is SUEFVABHOCFDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-16-12(14)9-7-6-8-10(18-19(3,4)5)11(9)13(15)17-2/h6,8-11H,7H2,1-5H3.
What are the key properties of dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate?
dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 286.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 22467099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).