[(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane

C25H35FO5SSi — CID 19363551

IUPAC[(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane
SMILESCOc1ccc(COCC/C(CO[Si](C)(C)C(C)(C)C)=C(\F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H35FO5SSi/c1-25(2,3)33(5,6)31-19-21(24(26)32(27,28)23-10-8-7-9-11-23)16-17-30-18-20-12-14-22(29-4)15-13-20/h7-15H,16-19H2,1-6H3/b24-21-
InChIKeyYJTVUOUNODNVHG-FLFQWRMESA-N
MW494.70 g/mol
LogP6.28
Rot. Bonds11

About [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane

[(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane (PubChem CID 19363551) has the molecular formula C25H35FO5SSi and a molecular weight of 494.70 g/mol. Its IUPAC name is [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane
PubChem CID19363551
Molecular FormulaC25H35FO5SSi
Molecular Weight494.70 g/mol
Exact Mass494.20
IUPAC Name[(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane
SMILESCOc1ccc(COCC/C(CO[Si](C)(C)C(C)(C)C)=C(\F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H35FO5SSi/c1-25(2,3)33(5,6)31-19-21(24(26)32(27,28)23-10-8-7-9-11-23)16-17-30-18-20-12-14-22(29-4)15-13-20/h7-15H,16-19H2,1-6H3/b24-21-
InChIKeyYJTVUOUNODNVHG-FLFQWRMESA-N
XLogP6.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.70
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane (CID 19363551) is [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane is COc1ccc(COCC/C(CO[Si](C)(C)C(C)(C)C)=C(\F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane?
The InChIKey is YJTVUOUNODNVHG-FLFQWRMESA-N. The full InChI is InChI=1S/C25H35FO5SSi/c1-25(2,3)33(5,6)31-19-21(24(26)32(27,28)23-10-8-7-9-11-23)16-17-30-18-20-12-14-22(29-4)15-13-20/h7-15H,16-19H2,1-6H3/b24-21-.
What are the key properties of [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane?
[(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane has a molecular weight of 494.70 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[benzenesulfonyl(fluoro)methylidene]-4-[(4-methoxyphenyl)methoxy]butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 19363551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).