triethoxy-[5-(3-fluorophenyl)pentyl]silane

C17H29FO3Si — CID 90172319

IUPACtriethoxy-[5-(3-fluorophenyl)pentyl]silane
SMILESCCO[Si](CCCCCc1cccc(F)c1)(OCC)OCC
InChIInChI=1S/C17H29FO3Si/c1-4-19-22(20-5-2,21-6-3)14-9-7-8-11-16-12-10-13-17(18)15-16/h10,12-13,15H,4-9,11,14H2,1-3H3
InChIKeyFBFWKLQGRHNYMF-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.59
Rot. Bonds12

About triethoxy-[5-(3-fluorophenyl)pentyl]silane

triethoxy-[5-(3-fluorophenyl)pentyl]silane (PubChem CID 90172319) has the molecular formula C17H29FO3Si and a molecular weight of 328.50 g/mol. Its IUPAC name is triethoxy-[5-(3-fluorophenyl)pentyl]silane.

Molecular Properties

Compound Nametriethoxy-[5-(3-fluorophenyl)pentyl]silane
PubChem CID90172319
Molecular FormulaC17H29FO3Si
Molecular Weight328.50 g/mol
Exact Mass328.19
IUPAC Nametriethoxy-[5-(3-fluorophenyl)pentyl]silane
SMILESCCO[Si](CCCCCc1cccc(F)c1)(OCC)OCC
InChIInChI=1S/C17H29FO3Si/c1-4-19-22(20-5-2,21-6-3)14-9-7-8-11-16-12-10-13-17(18)15-16/h10,12-13,15H,4-9,11,14H2,1-3H3
InChIKeyFBFWKLQGRHNYMF-UHFFFAOYSA-N
XLogP4.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.59
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'}

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Related Compounds

diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
6-(3-fluorophenyl)hexyl-methoxy-dimethylsilane
CID 90172578
6-(3-fluorophenyl)hexyl-hydroxy-dimethoxysilane
CID 90174154
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
acetylene;1-butyl-3-fluorobenzene
CID 142913636
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
1-fluoro-3-[7-(triethoxymethyl)pentadecyl]benzene
CID 172751050
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766

Frequently Asked Questions

What is the IUPAC name of triethoxy-[5-(3-fluorophenyl)pentyl]silane?
The IUPAC name of triethoxy-[5-(3-fluorophenyl)pentyl]silane (CID 90172319) is triethoxy-[5-(3-fluorophenyl)pentyl]silane.
What is the SMILES notation for triethoxy-[5-(3-fluorophenyl)pentyl]silane?
The canonical SMILES for triethoxy-[5-(3-fluorophenyl)pentyl]silane is CCO[Si](CCCCCc1cccc(F)c1)(OCC)OCC.
What is the InChIKey of triethoxy-[5-(3-fluorophenyl)pentyl]silane?
The InChIKey is FBFWKLQGRHNYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FO3Si/c1-4-19-22(20-5-2,21-6-3)14-9-7-8-11-16-12-10-13-17(18)15-16/h10,12-13,15H,4-9,11,14H2,1-3H3.
What are the key properties of triethoxy-[5-(3-fluorophenyl)pentyl]silane?
triethoxy-[5-(3-fluorophenyl)pentyl]silane has a molecular weight of 328.50 g/mol, XLogP of 4.59, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[5-(3-fluorophenyl)pentyl]silane is sourced from PubChem (CID 90172319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).