dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate

C20H32O5Si — CID 102255094

IUPACdimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(CCC(CO[Si](C)(C)C(C)(C)C)=C2)C1
InChIInChI=1S/C20H32O5Si/c1-19(2,3)26(6,7)25-13-14-8-9-15-11-20(17(21)23-4,18(22)24-5)12-16(15)10-14/h10H,8-9,11-13H2,1-7H3
InChIKeySKOJXBBLDNNOGP-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.15
Rot. Bonds5

About dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate

dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate (PubChem CID 102255094) has the molecular formula C20H32O5Si and a molecular weight of 380.56 g/mol. Its IUPAC name is dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
PubChem CID102255094
Molecular FormulaC20H32O5Si
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Namedimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(CCC(CO[Si](C)(C)C(C)(C)C)=C2)C1
InChIInChI=1S/C20H32O5Si/c1-19(2,3)26(6,7)25-13-14-8-9-15-11-20(17(21)23-4,18(22)24-5)12-16(15)10-14/h10H,8-9,11-13H2,1-7H3
InChIKeySKOJXBBLDNNOGP-UHFFFAOYSA-N
XLogP4.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Dimethyl 7,7-difluoro-5-tri(propan-2-yl)silylbicyclo[4.2.0]octa-1(8),5-diene-3,3-dicarboxylate
CID 134922153
Diethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidene-1,3,3a,5-tetrahydropentalene-2,2-dicarboxylate
CID 11223559
Dimethyl 6-(ethoxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 11514854
methyl 2-[(1R,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 101050724
dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
CID 101219663
Dimethyl 6-pentyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 102255095
dimethyl (3aS,6R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 134900202
methyl 5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-oxopentanoate
CID 134918902
Diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate
CID 134981869
methyl 2-[(1S,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 134983704
Dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 135068431
Sarpong43
CID 139188011

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The IUPAC name of dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate (CID 102255094) is dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C(CCC(CO[Si](C)(C)C(C)(C)C)=C2)C1.
What is the InChIKey of dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The InChIKey is SKOJXBBLDNNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O5Si/c1-19(2,3)26(6,7)25-13-14-8-9-15-11-20(17(21)23-4,18(22)24-5)12-16(15)10-14/h10H,8-9,11-13H2,1-7H3.
What are the key properties of dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate has a molecular weight of 380.56 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4,5-tetrahydroindene-2,2-dicarboxylate is sourced from PubChem (CID 102255094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).