diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate

C16H28O4Si — CID 5366456

IUPACdiethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)C1C(=O)OCC
InChIInChI=1S/C16H28O4Si/c1-7-19-15(17)13-9-12(10-21(4,5)6)11(3)14(13)16(18)20-8-2/h10-11,13-14H,7-9H2,1-6H3/b12-10+
InChIKeyLRWYUZMSKMPRLI-ZRDIBKRKSA-N
MW312.48 g/mol
LogP3.19
Rot. Bonds5

About diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate

diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate (PubChem CID 5366456) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
PubChem CID5366456
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namediethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)C1C(=O)OCC
InChIInChI=1S/C16H28O4Si/c1-7-19-15(17)13-9-12(10-21(4,5)6)11(3)14(13)16(18)20-8-2/h10-11,13-14H,7-9H2,1-6H3/b12-10+
InChIKeyLRWYUZMSKMPRLI-ZRDIBKRKSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethyl (1R,2R)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 929224
Diethyl 4-methylenecyclopentane-1,2-dicarboxylate
CID 556160
2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
CID 46866730
(1R,12S,13R,15S)-13,15-bis(ethenyl)-6,7-dimethylidene-3,10-dioxabicyclo[10.3.0]pentadecane-2,11-dione
CID 102328126
Cyclopentane-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, dimethyl ester
CID 552558
Cyclopentane-trans-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, diethyl ester
CID 552561
Diethyl 3-methyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552673
Diethyl 3,3-dimethyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552786
Cyclopentane-1R,2-trans-dicarboxylic acid, 4-isopropylidene-cis-3-trimethylsilyl-, diethyl ester
CID 552787
Diethyl 4-[(trimethylsilyl)methylene]-1,2-cyclopentanedicarboxylate
CID 554493
Cyclopentane-1,2-dicarboxylic acid, 4-(trimethylsilyl)methylene-, dimethyl ester, Z-
CID 560614
1,2-Cyclopentanedicarboxylic acid, 3-methyl-4-methylene-, dimethyl ester
CID 564785

Frequently Asked Questions

What is the IUPAC name of diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate (CID 5366456) is diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate is CCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)C1C(=O)OCC.
What is the InChIKey of diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The InChIKey is LRWYUZMSKMPRLI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-19-15(17)13-9-12(10-21(4,5)6)11(3)14(13)16(18)20-8-2/h10-11,13-14H,7-9H2,1-6H3/b12-10+.
What are the key properties of diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate has a molecular weight of 312.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4E)-3-methyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 5366456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).