dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate

C16H24O4Si — CID 11558617

IUPACdimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(CCC([Si](C)(C)C)=C2)C1
InChIInChI=1S/C16H24O4Si/c1-19-14(17)16(15(18)20-2)9-11-6-7-13(21(3,4)5)8-12(11)10-16/h8H,6-7,9-10H2,1-5H3
InChIKeyZDGQFOJSRXKFND-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.01
Rot. Bonds3

About dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate

dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate (PubChem CID 11558617) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
PubChem CID11558617
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Namedimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(CCC([Si](C)(C)C)=C2)C1
InChIInChI=1S/C16H24O4Si/c1-19-14(17)16(15(18)20-2)9-11-6-7-13(21(3,4)5)8-12(11)10-16/h8H,6-7,9-10H2,1-5H3
InChIKeyZDGQFOJSRXKFND-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The IUPAC name of dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate (CID 11558617) is dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C(CCC([Si](C)(C)C)=C2)C1.
What is the InChIKey of dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The InChIKey is ZDGQFOJSRXKFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-19-14(17)16(15(18)20-2)9-11-6-7-13(21(3,4)5)8-12(11)10-16/h8H,6-7,9-10H2,1-5H3.
What are the key properties of dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate is sourced from PubChem (CID 11558617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).