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

C25H53FO2Si — CID 141458490

IUPAC1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
SMILESCCCCCCCCCCCCC(CCCCCCCF)O[Si](C)(CCC)OC
InChIInChI=1S/C25H53FO2Si/c1-5-7-8-9-10-11-12-13-15-18-21-25(22-19-16-14-17-20-23-26)28-29(4,27-3)24-6-2/h25H,5-24H2,1-4H3
InChIKeyWKQKUYOGTIXESR-UHFFFAOYSA-N
MW432.78 g/mol
LogP9.12
Rot. Bonds23

About 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane

1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane (PubChem CID 141458490) has the molecular formula C25H53FO2Si and a molecular weight of 432.78 g/mol. Its IUPAC name is 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane.

Molecular Properties

Compound Name1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
PubChem CID141458490
Molecular FormulaC25H53FO2Si
Molecular Weight432.78 g/mol
Exact Mass432.38
IUPAC Name1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane
SMILESCCCCCCCCCCCCC(CCCCCCCF)O[Si](C)(CCC)OC
InChIInChI=1S/C25H53FO2Si/c1-5-7-8-9-10-11-12-13-15-18-21-25(22-19-16-14-17-20-23-26)28-29(4,27-3)24-6-2/h25H,5-24H2,1-4H3
InChIKeyWKQKUYOGTIXESR-UHFFFAOYSA-N
XLogP9.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 59.12
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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Related Compounds

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CID 536242
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CID 553210
ethyl-dimethyl-tridecan-4-yloxysilane
CID 554753
ethyl-dimethyl-tetradecan-4-yloxysilane
CID 534475
heptadecan-9-yloxy-methoxy-octyl-(9-octylheptadecan-9-yloxy)silane
CID 141037366
1-[dimethoxy(methyl)silyl]decan-3-amine
CID 150788422
chloromethyl-dimethyl-tridecan-5-yloxysilane
CID 554244
dimethyl-tridecan-4-yloxy-trimethylsilylsilane
CID 590056
1-fluorododecane;hexane
CID 174651345
1-fluoroheptatriacontane
CID 54496561
dichloromethyl-dimethyl-tridecan-6-yloxysilane
CID 554263
1-fluoro-7-methylpentacosane
CID 88638363

Frequently Asked Questions

What is the IUPAC name of 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
The IUPAC name of 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane (CID 141458490) is 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane.
What is the SMILES notation for 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
The canonical SMILES for 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane is CCCCCCCCCCCCC(CCCCCCCF)O[Si](C)(CCC)OC.
What is the InChIKey of 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
The InChIKey is WKQKUYOGTIXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53FO2Si/c1-5-7-8-9-10-11-12-13-15-18-21-25(22-19-16-14-17-20-23-26)28-29(4,27-3)24-6-2/h25H,5-24H2,1-4H3.
What are the key properties of 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane?
1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane has a molecular weight of 432.78 g/mol, XLogP of 9.12, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroicosan-8-yloxy-methoxy-methyl-propylsilane is sourced from PubChem (CID 141458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).