methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

C13H24O2Si — CID 5368150

IUPACmethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)(C)C1
InChIInChI=1S/C13H24O2Si/c1-13(2)8-10(12(14)15-3)7-11(13)9-16(4,5)6/h9-10H,7-8H2,1-6H3/b11-9+
InChIKeyPGMVSAJZKXREMM-PKNBQFBNSA-N
MW240.42 g/mol
LogP3.40
Rot. Bonds2

About methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (PubChem CID 5368150) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
PubChem CID5368150
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namemethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)(C)C1
InChIInChI=1S/C13H24O2Si/c1-13(2)8-10(12(14)15-3)7-11(13)9-16(4,5)6/h9-10H,7-8H2,1-6H3/b11-9+
InChIKeyPGMVSAJZKXREMM-PKNBQFBNSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.40
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

dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102377343
Dimethyl 3-methylidene-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 135069171
Cyclopentanecarboxylic acid, 3-methyl-4-methylene-, methyl ester
CID 565537
Cyclopentanecarboxylic acid, 3-(trimethylsilylmethylene)-, methyl ester
CID 5366900
Methyl (4E)-2-methyl-4-[(trimethylsilyl)methylene]cyclopentanecarboxylate
CID 5368153
Cyclopentanecarboxylic acid, 2-methyl-4-(trimethylsilyl)methylene-, methyl ester, E,syn-
CID 5368154
methyl (3Z)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 13928497
methyl (2Z)-2-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 10353146
methyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
CID 10880040
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 12972648

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (CID 5368150) is methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is COC(=O)C1C/C(=C\[Si](C)(C)C)C(C)(C)C1.
What is the InChIKey of methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The InChIKey is PGMVSAJZKXREMM-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2)8-10(12(14)15-3)7-11(13)9-16(4,5)6/h9-10H,7-8H2,1-6H3/b11-9+.
What are the key properties of methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 5368150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).