diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane

C15H25FO3Si — CID 154500818

IUPACdiethoxymethoxy-[4-(4-fluorophenyl)butyl]silane
SMILESCCOC(OCC)O[SiH2]CCCCc1ccc(F)cc1
InChIInChI=1S/C15H25FO3Si/c1-3-17-15(18-4-2)19-20-12-6-5-7-13-8-10-14(16)11-9-13/h8-11,15H,3-7,12,20H2,1-2H3
InChIKeyKRUIARHWEMXVBE-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.02
Rot. Bonds11

About diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane

diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane (PubChem CID 154500818) has the molecular formula C15H25FO3Si and a molecular weight of 300.45 g/mol. Its IUPAC name is diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane.

Molecular Properties

Compound Namediethoxymethoxy-[4-(4-fluorophenyl)butyl]silane
PubChem CID154500818
Molecular FormulaC15H25FO3Si
Molecular Weight300.45 g/mol
Exact Mass300.16
IUPAC Namediethoxymethoxy-[4-(4-fluorophenyl)butyl]silane
SMILESCCOC(OCC)O[SiH2]CCCCc1ccc(F)cc1
InChIInChI=1S/C15H25FO3Si/c1-3-17-15(18-4-2)19-20-12-6-5-7-13-8-10-14(16)11-9-13/h8-11,15H,3-7,12,20H2,1-2H3
InChIKeyKRUIARHWEMXVBE-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
1-fluoro-4-propylbenzene
CID 2737505
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
CID 150917008
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene
CID 164522960

Frequently Asked Questions

What is the IUPAC name of diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane?
The IUPAC name of diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane (CID 154500818) is diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane.
What is the SMILES notation for diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane?
The canonical SMILES for diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane is CCOC(OCC)O[SiH2]CCCCc1ccc(F)cc1.
What is the InChIKey of diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane?
The InChIKey is KRUIARHWEMXVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO3Si/c1-3-17-15(18-4-2)19-20-12-6-5-7-13-8-10-14(16)11-9-13/h8-11,15H,3-7,12,20H2,1-2H3.
What are the key properties of diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane?
diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane has a molecular weight of 300.45 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethoxy-[4-(4-fluorophenyl)butyl]silane is sourced from PubChem (CID 154500818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).