dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C13H22O4Si — CID 102051620

IUPACdimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CCC/C1=C\[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-16-11(14)13(12(15)17-2)8-6-7-10(13)9-18(3,4)5/h9H,6-8H2,1-5H3/b10-9+
InChIKeyUDQHRXNASTVIMT-MDZDMXLPSA-N
MW270.40 g/mol
LogP2.31
Rot. Bonds3

About dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 102051620) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID102051620
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namedimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CCC/C1=C\[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-16-11(14)13(12(15)17-2)8-6-7-10(13)9-18(3,4)5/h9H,6-8H2,1-5H3/b10-9+
InChIKeyUDQHRXNASTVIMT-MDZDMXLPSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.31
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

methyl (2Z)-1-acetyl-2-pentylidenecyclopentane-1-carboxylate
CID 102031774
methyl (3E,3aS,7aR)-4-oxo-3-(trimethylsilylmethylidene)-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate
CID 53475459
(2E)-2-[2,2-bis(methoxycarbonyl)cyclopentylidene]propanoic acid
CID 10706214
methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
CID 130942720
methyl 1-[(Z)-N-hydroxy-C-[(Z)-N-hydroxy-C-(1-methoxycarbonyl-2-oxocyclopentyl)carbonimidoyl]carbonimidoyl]-2-oxocyclopentane-1-carboxylate
CID 135777494
1-[(3aS,4E,6aR)-4-(trimethylsilylmethylidene)-1,2,3,5,6,6a-hexahydropentalen-3a-yl]ethanone
CID 10657486
methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
CID 134858476
methyl (1R)-1-methyl-3-oxocyclohexane-1-carboxylate
CID 12576327
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
methyl (2Z)-2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
CID 5355187
methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate
CID 101474558

Frequently Asked Questions

What is the IUPAC name of dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 102051620) is dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CCC/C1=C\[Si](C)(C)C.
What is the InChIKey of dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is UDQHRXNASTVIMT-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-16-11(14)13(12(15)17-2)8-6-7-10(13)9-18(3,4)5/h9H,6-8H2,1-5H3/b10-9+.
What are the key properties of dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102051620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).