2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate

C16H26O6Si — CID 46866730

IUPAC2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
SMILESCCOC(=O)C1/C(=C/[Si](C)(C)C)CCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H26O6Si/c1-7-22-13(17)12-11(10-23(4,5)6)8-9-16(12,14(18)20-2)15(19)21-3/h10,12H,7-9H2,1-6H3/b11-10+
InChIKeyXVASXFDFYDNADU-ZHACJKMWSA-N
MW342.46 g/mol
LogP2.10
Rot. Bonds5

About 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate

2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate (PubChem CID 46866730) has the molecular formula C16H26O6Si and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate.

Molecular Properties

Compound Name2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
PubChem CID46866730
Molecular FormulaC16H26O6Si
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Name2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
SMILESCCOC(=O)C1/C(=C/[Si](C)(C)C)CCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H26O6Si/c1-7-22-13(17)12-11(10-23(4,5)6)8-9-16(12,14(18)20-2)15(19)21-3/h10,12H,7-9H2,1-6H3/b11-10+
InChIKeyXVASXFDFYDNADU-ZHACJKMWSA-N
XLogP2.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
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
Diethyl 4-[(trimethylsilyl)methylene]-1,2-cyclopentanedicarboxylate
CID 554493
(E)-1,2-Cyclopentanedicarboxylic acid, 3-methyl-4-(trimethylsilylmethylene),-, diethyl ester
CID 5366456
(E)-1,2-Cyclopentanedicarboxylic acid, 3,3-dimethyl-4-trimethylsilylmethylene-, diethyl ester
CID 5366458
dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10871890
dimethyl (3Z)-2-methyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11013195
dimethyl (4Z)-2,2-dimethyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11142734
trans-methyl (1R,5R)-1-acetyl-2-methylidene-5-(trimethylsilylmethyl)cyclopentane-1-carboxylate
CID 10978484

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate?
The IUPAC name of 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate (CID 46866730) is 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate.
What is the SMILES notation for 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate?
The canonical SMILES for 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate is CCOC(=O)C1/C(=C/[Si](C)(C)C)CCC1(C(=O)OC)C(=O)OC.
What is the InChIKey of 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate?
The InChIKey is XVASXFDFYDNADU-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H26O6Si/c1-7-22-13(17)12-11(10-23(4,5)6)8-9-16(12,14(18)20-2)15(19)21-3/h10,12H,7-9H2,1-6H3/b11-10+.
What are the key properties of 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate?
2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate has a molecular weight of 342.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate is sourced from PubChem (CID 46866730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).