[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate

C21H36O4Si — CID 101217889

IUPAC[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
SMILESC/C=C1\CC(COC(C)=O)(COC(C)=O)C\C1=C(/C)[Si](CC)(CC)CC
InChIInChI=1S/C21H36O4Si/c1-8-19-12-21(14-24-17(6)22,15-25-18(7)23)13-20(19)16(5)26(9-2,10-3)11-4/h8H,9-15H2,1-7H3/b19-8+,20-16-
InChIKeyPIMNFJLDXMZONF-RJMDHLSRSA-N
MW380.60 g/mol
LogP5.20
Rot. Bonds8

About [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate

[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate (PubChem CID 101217889) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
PubChem CID101217889
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Name[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
SMILESC/C=C1\CC(COC(C)=O)(COC(C)=O)C\C1=C(/C)[Si](CC)(CC)CC
InChIInChI=1S/C21H36O4Si/c1-8-19-12-21(14-24-17(6)22,15-25-18(7)23)13-20(19)16(5)26(9-2,10-3)11-4/h8H,9-15H2,1-7H3/b19-8+,20-16-
InChIKeyPIMNFJLDXMZONF-RJMDHLSRSA-N
XLogP5.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.20
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 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 102573010
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
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
dimethyl (3E,4Z)-3-propylidene-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 101217887
[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101217888
triethyl-[(1Z)-1-[(2E)-2-ethylidene-4,4-bis(methoxymethyl)cyclopentylidene]ethyl]silane
CID 101217890
[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
CID 101229220
[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate
CID 101229221

Frequently Asked Questions

What is the IUPAC name of [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
The IUPAC name of [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate (CID 101217889) is [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate.
What is the SMILES notation for [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
The canonical SMILES for [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate is C/C=C1\CC(COC(C)=O)(COC(C)=O)C\C1=C(/C)[Si](CC)(CC)CC.
What is the InChIKey of [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
The InChIKey is PIMNFJLDXMZONF-RJMDHLSRSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-8-19-12-21(14-24-17(6)22,15-25-18(7)23)13-20(19)16(5)26(9-2,10-3)11-4/h8H,9-15H2,1-7H3/b19-8+,20-16-.
What are the key properties of [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate has a molecular weight of 380.60 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate is sourced from PubChem (CID 101217889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).