[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate

C27H48O4Si — CID 101217888

IUPAC[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
SMILESC/C=C1\CC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C\C1=C(/C)[Si](CC)(CC)CC
InChIInChI=1S/C27H48O4Si/c1-12-21-16-27(18-30-23(28)25(6,7)8,19-31-24(29)26(9,10)11)17-22(21)20(5)32(13-2,14-3)15-4/h12H,13-19H2,1-11H3/b21-12+,22-20-
InChIKeyFELWLDQDIUWUSB-KJPDKSBHSA-N
MW464.76 g/mol
LogP7.26
Rot. Bonds8

About [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate

[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate (PubChem CID 101217888) has the molecular formula C27H48O4Si and a molecular weight of 464.76 g/mol. Its IUPAC name is [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
PubChem CID101217888
Molecular FormulaC27H48O4Si
Molecular Weight464.76 g/mol
Exact Mass464.33
IUPAC Name[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
SMILESC/C=C1\CC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C\C1=C(/C)[Si](CC)(CC)CC
InChIInChI=1S/C27H48O4Si/c1-12-21-16-27(18-30-23(28)25(6,7)8,19-31-24(29)26(9,10)11)17-22(21)20(5)32(13-2,14-3)15-4/h12H,13-19H2,1-11H3/b21-12+,22-20-
InChIKeyFELWLDQDIUWUSB-KJPDKSBHSA-N
XLogP7.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.76
LogP ≤ 57.26
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

dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
ethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
CID 135067160
[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 102573010
[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 10894795
dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10895358
dimethyl (3E,4Z)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 11291134
diethyl 3-ethenyl-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 11810258
[(3S,4R)-3-[(E)-but-1-enyl]-1-(2,2-dimethylpropanoyloxymethyl)-4-(triethylsilylmethyl)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101154288
dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 101217882
dimethyl (3E,4Z)-3-propylidene-4-(1-triethylsilylpropylidene)cyclopentane-1,1-dicarboxylate
CID 101217884
dimethyl (3E,4Z)-3-hexylidene-4-(1-triethylsilylhexylidene)cyclopentane-1,1-dicarboxylate
CID 101217885

Frequently Asked Questions

What is the IUPAC name of [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate (CID 101217888) is [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate is C/C=C1\CC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C\C1=C(/C)[Si](CC)(CC)CC.
What is the InChIKey of [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The InChIKey is FELWLDQDIUWUSB-KJPDKSBHSA-N. The full InChI is InChI=1S/C27H48O4Si/c1-12-21-16-27(18-30-23(28)25(6,7)8,19-31-24(29)26(9,10)11)17-22(21)20(5)32(13-2,14-3)15-4/h12H,13-19H2,1-11H3/b21-12+,22-20-.
What are the key properties of [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate has a molecular weight of 464.76 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101217888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).