dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate

C21H32O6Si — CID 10431601

IUPACdimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C([Si](C)(C)C)C2=C(C1)CC1(COC(C)(C)OC1)C2
InChIInChI=1S/C21H32O6Si/c1-20(2)26-11-21(12-27-20)9-13-8-14(18(22)24-3)16(19(23)25-4)17(15(13)10-21)28(5,6)7/h17H,8-12H2,1-7H3
InChIKeySWTXHCXVQHSIFD-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.60
Rot. Bonds3

About dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate

dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate (PubChem CID 10431601) has the molecular formula C21H32O6Si and a molecular weight of 408.57 g/mol. Its IUPAC name is dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate
PubChem CID10431601
Molecular FormulaC21H32O6Si
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Namedimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C([Si](C)(C)C)C2=C(C1)CC1(COC(C)(C)OC1)C2
InChIInChI=1S/C21H32O6Si/c1-20(2)26-11-21(12-27-20)9-13-8-14(18(22)24-3)16(19(23)25-4)17(15(13)10-21)28(5,6)7/h17H,8-12H2,1-7H3
InChIKeySWTXHCXVQHSIFD-UHFFFAOYSA-N
XLogP3.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate?
The IUPAC name of dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate (CID 10431601) is dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate?
The canonical SMILES for dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate is COC(=O)C1=C(C(=O)OC)C([Si](C)(C)C)C2=C(C1)CC1(COC(C)(C)OC1)C2.
What is the InChIKey of dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate?
The InChIKey is SWTXHCXVQHSIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O6Si/c1-20(2)26-11-21(12-27-20)9-13-8-14(18(22)24-3)16(19(23)25-4)17(15(13)10-21)28(5,6)7/h17H,8-12H2,1-7H3.
What are the key properties of dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate?
dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate has a molecular weight of 408.57 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2',2'-dimethyl-4-trimethylsilylspiro[1,3,4,7-tetrahydroindene-2,5'-1,3-dioxane]-5,6-dicarboxylate is sourced from PubChem (CID 10431601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).