diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate

C19H30O4Si — CID 11810258

IUPACdiethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(/C=C/C[Si](C)(C)C)CC(C(=O)OCC)(C(=O)OCC)C1
InChIInChI=1S/C19H30O4Si/c1-7-15-13-19(17(20)22-8-2,18(21)23-9-3)14-16(15)11-10-12-24(4,5)6/h7,10-11H,1,8-9,12-14H2,2-6H3/b11-10+
InChIKeyKALKNGFPBMSQPU-ZHACJKMWSA-N
MW350.53 g/mol
LogP4.27
Rot. Bonds8

About diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate

diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 11810258) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
PubChem CID11810258
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Namediethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(/C=C/C[Si](C)(C)C)CC(C(=O)OCC)(C(=O)OCC)C1
InChIInChI=1S/C19H30O4Si/c1-7-15-13-19(17(20)22-8-2,18(21)23-9-3)14-16(15)11-10-12-24(4,5)6/h7,10-11H,1,8-9,12-14H2,2-6H3/b11-10+
InChIKeyKALKNGFPBMSQPU-ZHACJKMWSA-N
XLogP4.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.27
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

Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
2-Cyclopentene-1-carboxylic acid, 1-(4-methyl-3-pentenyl)-2-[(trimethylsilyl)oxy]-, ethyl ester
CID 553458
Dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
Diethyl 4-ethenyl-5-methyl-3-methylidenecyclohept-4-ene-1,1-dicarboxylate
CID 11709095
Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979
diethyl 3-[(E)-2-methylhex-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101198579
Diethyl 4-(2-methylprop-1-enyl)cyclohex-3-ene-1,1-dicarboxylate
CID 101198581
diethyl 3-[(E)-pent-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101198583
Diethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
CID 15827924
Tetraethyl tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene-6,6,13,13-tetracarboxylate
CID 49858575
3-Cyclohexene-1,1-dicarboxylic acid, 3-ethenyl-, diethyl ester
CID 11779981

Frequently Asked Questions

What is the IUPAC name of diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate (CID 11810258) is diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate is C=CC1=C(/C=C/C[Si](C)(C)C)CC(C(=O)OCC)(C(=O)OCC)C1.
What is the InChIKey of diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is KALKNGFPBMSQPU-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-7-15-13-19(17(20)22-8-2,18(21)23-9-3)14-16(15)11-10-12-24(4,5)6/h7,10-11H,1,8-9,12-14H2,2-6H3/b11-10+.
What are the key properties of diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 350.53 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 11810258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).