2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one

C26H25FO2Si — CID 70862222

IUPAC2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one
SMILESCC1CC(=O)C(=Cc2ccc(F)cc2)C1O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25FO2Si/c1-19-17-25(28)24(18-20-13-15-21(27)16-14-20)26(19)29-30(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,18-19,26H,17H2,1-2H3
InChIKeyHQIJGIBGKNQSLN-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.59
Rot. Bonds5

About 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one

2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one (PubChem CID 70862222) has the molecular formula C26H25FO2Si and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one
PubChem CID70862222
Molecular FormulaC26H25FO2Si
Molecular Weight416.57 g/mol
Exact Mass416.16
IUPAC Name2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one
SMILESCC1CC(=O)C(=Cc2ccc(F)cc2)C1O[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25FO2Si/c1-19-17-25(28)24(18-20-13-15-21(27)16-14-20)26(19)29-30(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,18-19,26H,17H2,1-2H3
InChIKeyHQIJGIBGKNQSLN-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one (CID 70862222) is 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one is CC1CC(=O)C(=Cc2ccc(F)cc2)C1O[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
The InChIKey is HQIJGIBGKNQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FO2Si/c1-19-17-25(28)24(18-20-13-15-21(27)16-14-20)26(19)29-30(2,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,18-19,26H,17H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one?
2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one has a molecular weight of 416.57 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-4-methyl-3-[methyl(diphenyl)silyl]oxycyclopentan-1-one is sourced from PubChem (CID 70862222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).