8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane

C25H53FO2Si — CID 142734164

IUPAC8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
SMILESCCCCCCCCCCCCC(F)(CCCCCCC)O[Si](C)(CCC)OC
InChIInChI=1S/C25H53FO2Si/c1-6-9-11-13-14-15-16-17-19-21-23-25(26,22-20-18-12-10-7-2)28-29(5,27-4)24-8-3/h6-24H2,1-5H3
InChIKeyLQHCWDFBNRPCDZ-UHFFFAOYSA-N
MW432.78 g/mol
LogP9.47
Rot. Bonds22

About 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane

8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane (PubChem CID 142734164) has the molecular formula C25H53FO2Si and a molecular weight of 432.78 g/mol. Its IUPAC name is 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane.

Molecular Properties

Compound Name8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
PubChem CID142734164
Molecular FormulaC25H53FO2Si
Molecular Weight432.78 g/mol
Exact Mass432.38
IUPAC Name8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
SMILESCCCCCCCCCCCCC(F)(CCCCCCC)O[Si](C)(CCC)OC
InChIInChI=1S/C25H53FO2Si/c1-6-9-11-13-14-15-16-17-19-21-23-25(26,22-20-18-12-10-7-2)28-29(5,27-4)24-8-3/h6-24H2,1-5H3
InChIKeyLQHCWDFBNRPCDZ-UHFFFAOYSA-N
XLogP9.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
The IUPAC name of 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane (CID 142734164) is 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane.
What is the SMILES notation for 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
The canonical SMILES for 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane is CCCCCCCCCCCCC(F)(CCCCCCC)O[Si](C)(CCC)OC.
What is the InChIKey of 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
The InChIKey is LQHCWDFBNRPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53FO2Si/c1-6-9-11-13-14-15-16-17-19-21-23-25(26,22-20-18-12-10-7-2)28-29(5,27-4)24-8-3/h6-24H2,1-5H3.
What are the key properties of 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane has a molecular weight of 432.78 g/mol, XLogP of 9.47, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane is sourced from PubChem (CID 142734164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).