methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate

C23H28O2Si — CID 21160231

IUPACmethyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate
SMILESCOC(=O)C1C/C(=C(\c2ccccc2)[Si](C)(C)C)CC1c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-25-23(24)21-16-19(15-20(21)17-11-7-5-8-12-17)22(26(2,3)4)18-13-9-6-10-14-18/h5-14,20-21H,15-16H2,1-4H3/b22-19+
InChIKeyMYBMPLIHWACFDY-ZBJSNUHESA-N
MW364.56 g/mol
LogP5.68
Rot. Bonds4

About methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate

methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate (PubChem CID 21160231) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate
PubChem CID21160231
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Namemethyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate
SMILESCOC(=O)C1C/C(=C(\c2ccccc2)[Si](C)(C)C)CC1c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-25-23(24)21-16-19(15-20(21)17-11-7-5-8-12-17)22(26(2,3)4)18-13-9-6-10-14-18/h5-14,20-21H,15-16H2,1-4H3/b22-19+
InChIKeyMYBMPLIHWACFDY-ZBJSNUHESA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.68
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

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Frequently Asked Questions

What is the IUPAC name of methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate?
The IUPAC name of methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate (CID 21160231) is methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate is COC(=O)C1C/C(=C(\c2ccccc2)[Si](C)(C)C)CC1c1ccccc1.
What is the InChIKey of methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate?
The InChIKey is MYBMPLIHWACFDY-ZBJSNUHESA-N. The full InChI is InChI=1S/C23H28O2Si/c1-25-23(24)21-16-19(15-20(21)17-11-7-5-8-12-17)22(26(2,3)4)18-13-9-6-10-14-18/h5-14,20-21H,15-16H2,1-4H3/b22-19+.
What are the key properties of methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate?
methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate has a molecular weight of 364.56 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-2-phenyl-4-[phenyl(trimethylsilyl)methylidene]cyclopentane-1-carboxylate is sourced from PubChem (CID 21160231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).