dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate

C17H26O5Si — CID 135068431

IUPACdimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(CCC(CO[Si](C)(C)C)=C2)C1
InChIInChI=1S/C17H26O5Si/c1-20-15(18)17(16(19)21-2)9-13-7-6-12(8-14(13)10-17)11-22-23(3,4)5/h8H,6-7,9-11H2,1-5H3
InChIKeyNTEMMGMGUHXJQO-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.98
Rot. Bonds5

About dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate

dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate (PubChem CID 135068431) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
PubChem CID135068431
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Namedimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C(CCC(CO[Si](C)(C)C)=C2)C1
InChIInChI=1S/C17H26O5Si/c1-20-15(18)17(16(19)21-2)9-13-7-6-12(8-14(13)10-17)11-22-23(3,4)5/h8H,6-7,9-11H2,1-5H3
InChIKeyNTEMMGMGUHXJQO-UHFFFAOYSA-N
XLogP2.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.98
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'}

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Related Compounds

Dimethyl 1,7-dimethyl-1,2,4,6-tetrahydroindene-5,5-dicarboxylate
CID 72829017
Dimethyl 6-(ethoxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 11514854
dimethyl 5,6-bis(methoxymethyl)-3a-methyl-3,4-dihydro-1H-indene-2,2-dicarboxylate
CID 11667236
Diethyl 3a-methyl-2-methylidene-1,3,4,5,7,9-hexahydrocyclopenta[a]naphthalene-8,8-dicarboxylate
CID 15634045
diethyl 3a-methyl-2-methylidene-3,4,6,8-tetrahydro-1H-cyclopenta[a]indene-7,7-dicarboxylate
CID 15634046
Dimethyl 6-pentyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 102255095
lithium methyl 1-[(S)-phenyl(trimethylsilyloxy)methyl]cyclohexane-1-carboxylate
CID 134831330
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
Sarpong43
CID 139188011
Dimethyl 1,7-dimethylidene-2,3,4,6-tetrahydroindene-5,5-dicarboxylate
CID 10849061
dimethyl 3-[(E)-hex-1-enyl]-4-propylcyclopent-3-ene-1,1-dicarboxylate
CID 10870566

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The IUPAC name of dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate (CID 135068431) is dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C(CCC(CO[Si](C)(C)C)=C2)C1.
What is the InChIKey of dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
The InChIKey is NTEMMGMGUHXJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-20-15(18)17(16(19)21-2)9-13-7-6-12(8-14(13)10-17)11-22-23(3,4)5/h8H,6-7,9-11H2,1-5H3.
What are the key properties of dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate?
dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate has a molecular weight of 338.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-(trimethylsilyloxymethyl)-1,3,4,5-tetrahydroindene-2,2-dicarboxylate is sourced from PubChem (CID 135068431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).