[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate

C22H40O4Si — CID 101229221

IUPAC[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate
SMILESCCC(=O)OCC1(COC(=O)CC)C/C(=C(\C)[Si](CC)(CC)CC)C(C)C1
InChIInChI=1S/C22H40O4Si/c1-8-20(23)25-15-22(16-26-21(24)9-2)13-17(6)19(14-22)18(7)27(10-3,11-4)12-5/h17H,8-16H2,1-7H3/b19-18-
InChIKeyBRDJTGBULAVTKM-HNENSFHCSA-N
MW396.64 g/mol
LogP5.67
Rot. Bonds10

About [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate

[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate (PubChem CID 101229221) has the molecular formula C22H40O4Si and a molecular weight of 396.64 g/mol. Its IUPAC name is [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate.

Molecular Properties

Compound Name[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate
PubChem CID101229221
Molecular FormulaC22H40O4Si
Molecular Weight396.64 g/mol
Exact Mass396.27
IUPAC Name[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate
SMILESCCC(=O)OCC1(COC(=O)CC)C/C(=C(\C)[Si](CC)(CC)CC)C(C)C1
InChIInChI=1S/C22H40O4Si/c1-8-20(23)25-15-22(16-26-21(24)9-2)13-17(6)19(14-22)18(7)27(10-3,11-4)12-5/h17H,8-16H2,1-7H3/b19-18-
InChIKeyBRDJTGBULAVTKM-HNENSFHCSA-N
XLogP5.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 55.67
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 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane
CID 101229219
[(4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-methylidene-4-(triethylsilylmethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 102573010
dimethyl (4Z)-3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 11256314
[(3S,4R)-3-[(E)-but-1-enyl]-1-(2,2-dimethylpropanoyloxymethyl)-4-(triethylsilylmethyl)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101154288
[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101217888
[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
CID 101217889
dimethyl (3Z)-3-[1-[dimethyl(octyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 101229216
dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 101229217
dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 101229218
[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
CID 101229220
dimethyl (4E)-3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 101335041

Frequently Asked Questions

What is the IUPAC name of [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate?
The IUPAC name of [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate (CID 101229221) is [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate.
What is the SMILES notation for [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate?
The canonical SMILES for [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate is CCC(=O)OCC1(COC(=O)CC)C/C(=C(\C)[Si](CC)(CC)CC)C(C)C1.
What is the InChIKey of [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate?
The InChIKey is BRDJTGBULAVTKM-HNENSFHCSA-N. The full InChI is InChI=1S/C22H40O4Si/c1-8-20(23)25-15-22(16-26-21(24)9-2)13-17(6)19(14-22)18(7)27(10-3,11-4)12-5/h17H,8-16H2,1-7H3/b19-18-.
What are the key properties of [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate?
[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate has a molecular weight of 396.64 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate is sourced from PubChem (CID 101229221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).