diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane

C15H25FO2Si — CID 90171092

IUPACdiethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
SMILESCCO[Si](C)(CCCCc1ccc(F)cc1)OCC
InChIInChI=1S/C15H25FO2Si/c1-4-17-19(3,18-5-2)13-7-6-8-14-9-11-15(16)12-10-14/h9-12H,4-8,13H2,1-3H3
InChIKeyHKESZUYOKNIIFA-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.29
Rot. Bonds9

About diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane

diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane (PubChem CID 90171092) has the molecular formula C15H25FO2Si and a molecular weight of 284.45 g/mol. Its IUPAC name is diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
PubChem CID90171092
Molecular FormulaC15H25FO2Si
Molecular Weight284.45 g/mol
Exact Mass284.16
IUPAC Namediethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
SMILESCCO[Si](C)(CCCCc1ccc(F)cc1)OCC
InChIInChI=1S/C15H25FO2Si/c1-4-17-19(3,18-5-2)13-7-6-8-14-9-11-15(16)12-10-14/h9-12H,4-8,13H2,1-3H3
InChIKeyHKESZUYOKNIIFA-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.29
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

diethoxy-methyl-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90172096
3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
CID 90172780
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
CID 154190477
[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
CID 90174752
[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
CID 90170475
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
5-(4-fluorophenyl)pentyl-hydroxy-di(propan-2-yl)silane
CID 90171924
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320

Frequently Asked Questions

What is the IUPAC name of diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane?
The IUPAC name of diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane (CID 90171092) is diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane.
What is the SMILES notation for diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane?
The canonical SMILES for diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane is CCO[Si](C)(CCCCc1ccc(F)cc1)OCC.
What is the InChIKey of diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane?
The InChIKey is HKESZUYOKNIIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO2Si/c1-4-17-19(3,18-5-2)13-7-6-8-14-9-11-15(16)12-10-14/h9-12H,4-8,13H2,1-3H3.
What are the key properties of diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane?
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane has a molecular weight of 284.45 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane is sourced from PubChem (CID 90171092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).