diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane

C16H27FO3Si — CID 90170541

IUPACdiethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
SMILESCCO[Si](O)(CCCCCCc1cccc(F)c1)OCC
InChIInChI=1S/C16H27FO3Si/c1-3-19-21(18,20-4-2)13-8-6-5-7-10-15-11-9-12-16(17)14-15/h9,11-12,14,18H,3-8,10,13H2,1-2H3
InChIKeyYCHUVFNDOUNIDF-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.93
Rot. Bonds11

About diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane

diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane (PubChem CID 90170541) has the molecular formula C16H27FO3Si and a molecular weight of 314.47 g/mol. Its IUPAC name is diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane.

Molecular Properties

Compound Namediethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
PubChem CID90170541
Molecular FormulaC16H27FO3Si
Molecular Weight314.47 g/mol
Exact Mass314.17
IUPAC Namediethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
SMILESCCO[Si](O)(CCCCCCc1cccc(F)c1)OCC
InChIInChI=1S/C16H27FO3Si/c1-3-19-21(18,20-4-2)13-8-6-5-7-10-15-11-9-12-16(17)14-15/h9,11-12,14,18H,3-8,10,13H2,1-2H3
InChIKeyYCHUVFNDOUNIDF-UHFFFAOYSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
6-(3-fluorophenyl)hexyl-hydroxy-dimethoxysilane
CID 90174154
6-(3-fluorophenyl)hexyl-methoxy-dimethylsilane
CID 90172578
acetylene;1-butyl-3-fluorobenzene
CID 142913636
but-1-yne;1-fluoro-3-pentylbenzene
CID 174779976
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-fluoro-3-[7-(triethoxymethyl)pentadecyl]benzene
CID 172751050
diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174294
6-(3-fluorophenyl)hexan-3-one
CID 64521140
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
1,3-dipentylbenzene;fluorobenzene
CID 174957175

Frequently Asked Questions

What is the IUPAC name of diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane?
The IUPAC name of diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane (CID 90170541) is diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane.
What is the SMILES notation for diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane?
The canonical SMILES for diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane is CCO[Si](O)(CCCCCCc1cccc(F)c1)OCC.
What is the InChIKey of diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane?
The InChIKey is YCHUVFNDOUNIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FO3Si/c1-3-19-21(18,20-4-2)13-8-6-5-7-10-15-11-9-12-16(17)14-15/h9,11-12,14,18H,3-8,10,13H2,1-2H3.
What are the key properties of diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane?
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane has a molecular weight of 314.47 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane is sourced from PubChem (CID 90170541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).