dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate

C15H26O4Si — CID 102245976

IUPACdimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate
SMILESCC[Si](C)(C)CC1=C(C)CC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C15H26O4Si/c1-7-20(5,6)10-12-9-15(8-11(12)2,13(16)18-3)14(17)19-4/h7-10H2,1-6H3
InChIKeyYSRYSCJKNBGKBX-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.16
Rot. Bonds5

About dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate (PubChem CID 102245976) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate
PubChem CID102245976
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Namedimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate
SMILESCC[Si](C)(C)CC1=C(C)CC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C15H26O4Si/c1-7-20(5,6)10-12-9-15(8-11(12)2,13(16)18-3)14(17)19-4/h7-10H2,1-6H3
InChIKeyYSRYSCJKNBGKBX-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl 3-methyl-4-propanoylcyclopent-3-ene-1,1-dicarboxylate
CID 102519943
dimethyl 3-methyl-4-[[(1S,2S,4R,5R)-3-tricyclo[3.2.1.02,4]octanyl]methyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101411672
dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578
dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
CID 10913555
dimethyl (1Z,6Z)-1,6-dimethyl-5-oxo-7,9-dihydro-2H-cyclopenta[d]oxocine-8,8-dicarboxylate
CID 71274788
dimethyl 3-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 102415851
CID 162397704
CID 162397704
dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185096
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 71603292

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate (CID 102245976) is dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate is CC[Si](C)(C)CC1=C(C)CC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is YSRYSCJKNBGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-7-20(5,6)10-12-9-15(8-11(12)2,13(16)18-3)14(17)19-4/h7-10H2,1-6H3.
What are the key properties of dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 298.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 102245976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).