[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate

C25H44O4Si — CID 102573010

IUPAC[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
SMILESC=C1CC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C25H44O4Si/c1-11-30(12-2,13-3)16-20-15-25(14-19(20)4,17-28-21(26)23(5,6)7)18-29-22(27)24(8,9)10/h16H,4,11-15,17-18H2,1-3,5-10H3/b20-16-
InChIKeyZYAARRJLCDBZOU-SILNSSARSA-N
MW436.71 g/mol
LogP6.48
Rot. Bonds8

About [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate

[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate (PubChem CID 102573010) has the molecular formula C25H44O4Si and a molecular weight of 436.71 g/mol. Its IUPAC name is [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
PubChem CID102573010
Molecular FormulaC25H44O4Si
Molecular Weight436.71 g/mol
Exact Mass436.30
IUPAC Name[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
SMILESC=C1CC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C25H44O4Si/c1-11-30(12-2,13-3)16-20-15-25(14-19(20)4,17-28-21(26)23(5,6)7)18-29-22(27)24(8,9)10/h16H,4,11-15,17-18H2,1-3,5-10H3/b20-16-
InChIKeyZYAARRJLCDBZOU-SILNSSARSA-N
XLogP6.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.48
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 (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101130864
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686402
dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
CID 10915542
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578
diethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 13866736
[(4Z)-3-methylidene-4-(tributylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 10894795
dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11210062
dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 12972644
dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 15977530

Frequently Asked Questions

What is the IUPAC name of [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate (CID 102573010) is [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate is C=C1CC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C/C1=C/[Si](CC)(CC)CC.
What is the InChIKey of [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
The InChIKey is ZYAARRJLCDBZOU-SILNSSARSA-N. The full InChI is InChI=1S/C25H44O4Si/c1-11-30(12-2,13-3)16-20-15-25(14-19(20)4,17-28-21(26)23(5,6)7)18-29-22(27)24(8,9)10/h16H,4,11-15,17-18H2,1-3,5-10H3/b20-16-.
What are the key properties of [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate?
[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate has a molecular weight of 436.71 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 102573010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).