[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate

C25H46O2Si — CID 10894795

IUPAC[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
SMILESC=C1CC(COC(=O)C(C)(C)C)C/C1=C/[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H46O2Si/c1-8-11-14-28(15-12-9-2,16-13-10-3)20-23-18-22(17-21(23)4)19-27-24(26)25(5,6)7/h20,22H,4,8-19H2,1-3,5-7H3/b23-20-
InChIKeyQJVYCURDIIAKTD-ATJXCDBQSA-N
MW406.73 g/mol
LogP7.86
Rot. Bonds12

About [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate

[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate (PubChem CID 10894795) has the molecular formula C25H46O2Si and a molecular weight of 406.73 g/mol. Its IUPAC name is [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
PubChem CID10894795
Molecular FormulaC25H46O2Si
Molecular Weight406.73 g/mol
Exact Mass406.33
IUPAC Name[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
SMILESC=C1CC(COC(=O)C(C)(C)C)C/C1=C/[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H46O2Si/c1-8-11-14-28(15-12-9-2,16-13-10-3)20-23-18-22(17-21(23)4)19-27-24(26)25(5,6)7/h20,22H,4,8-19H2,1-3,5-7H3/b23-20-
InChIKeyQJVYCURDIIAKTD-ATJXCDBQSA-N
XLogP7.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 102573010
methyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
CID 10880040
[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101217888
methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 177429894
methyl (4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1-carboxylate
CID 177546415

Frequently Asked Questions

What is the IUPAC name of [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate (CID 10894795) is [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate is C=C1CC(COC(=O)C(C)(C)C)C/C1=C/[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The InChIKey is QJVYCURDIIAKTD-ATJXCDBQSA-N. The full InChI is InChI=1S/C25H46O2Si/c1-8-11-14-28(15-12-9-2,16-13-10-3)20-23-18-22(17-21(23)4)19-27-24(26)25(5,6)7/h20,22H,4,8-19H2,1-3,5-7H3/b23-20-.
What are the key properties of [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate has a molecular weight of 406.73 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10894795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).