methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate

C17H28O3Si — CID 10892226

IUPACmethyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESC=C1CC(C(C)=O)(C(=O)OC)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C17H28O3Si/c1-7-21(8-2,9-3)12-15-11-17(14(5)18,10-13(15)4)16(19)20-6/h12H,4,7-11H2,1-3,5-6H3/b15-12-
InChIKeyJEXSFNXOJVHVOP-QINSGFPZSA-N
MW308.49 g/mol
LogP4.06
Rot. Bonds6

About methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate

methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate (PubChem CID 10892226) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
PubChem CID10892226
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Namemethyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESC=C1CC(C(C)=O)(C(=O)OC)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C17H28O3Si/c1-7-21(8-2,9-3)12-15-11-17(14(5)18,10-13(15)4)16(19)20-6/h12H,4,7-11H2,1-3,5-6H3/b15-12-
InChIKeyJEXSFNXOJVHVOP-QINSGFPZSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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
Methyl 1-acetyl-2-methylidenecyclopentane-1-carboxylate
CID 10943095
Methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate
CID 11687060
ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083410
ethyl 2-oxo-1-[(E)-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083415
methyl (2E)-1-acetyl-2-(tributylstannylmethylidene)cyclopentane-1-carboxylate
CID 60154589
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102377343
methyl (1R)-2-methylidene-1-propanoylcyclopentane-1-carboxylate
CID 121006542

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate (CID 10892226) is methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate is C=C1CC(C(C)=O)(C(=O)OC)C/C1=C/[Si](CC)(CC)CC.
What is the InChIKey of methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
The InChIKey is JEXSFNXOJVHVOP-QINSGFPZSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-7-21(8-2,9-3)12-15-11-17(14(5)18,10-13(15)4)16(19)20-6/h12H,4,7-11H2,1-3,5-6H3/b15-12-.
What are the key properties of methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate?
methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate has a molecular weight of 308.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 10892226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).