dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate

C15H26O4Si — CID 10913555

IUPACdimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
SMILESCC[Si](CC)(CC)C1=CCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C15H26O4Si/c1-6-20(7-2,8-3)12-9-10-15(11-12,13(16)18-4)14(17)19-5/h9H,6-8,10-11H2,1-5H3
InChIKeyGRKGCMGOCMRCEC-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.09
Rot. Bonds6

About dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate (PubChem CID 10913555) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
PubChem CID10913555
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Namedimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
SMILESCC[Si](CC)(CC)C1=CCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C15H26O4Si/c1-6-20(7-2,8-3)12-9-10-15(11-12,13(16)18-4)14(17)19-5/h9H,6-8,10-11H2,1-5H3
InChIKeyGRKGCMGOCMRCEC-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.09
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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Related Compounds

dimethyl 3-bromocyclopent-3-ene-1,1-dicarboxylate
CID 175563415
dimethyl 3-[(Z)-but-2-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 122381620
dimethyl 3-(2-deuterioethenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 23630776
dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346
dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
CID 101219663
dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 102245976
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
tetramethyl (8E)-8-(4-chlorophenyl)-5,7,10,12-tetrahydrobenzo[10]annulene-6,6,11,11-tetracarboxylate
CID 101479721
dimethyl 3-methyl-4-propanoylcyclopent-3-ene-1,1-dicarboxylate
CID 102519943
dimethyl 3-hexanoylcyclohept-3-ene-1,1-dicarboxylate
CID 101465745
[(1S)-3-ethoxycarbonyl-1-methoxycarbonylcyclopent-3-en-1-yl]azanium chloride
CID 102213166

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate (CID 10913555) is dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate is CC[Si](CC)(CC)C1=CCC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is GRKGCMGOCMRCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-6-20(7-2,8-3)12-9-10-15(11-12,13(16)18-4)14(17)19-5/h9H,6-8,10-11H2,1-5H3.
What are the key properties of dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 298.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 10913555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).