triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane

C25H57FOSi3 — CID 140750839

IUPACtriethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)CCCC(F)(CCC[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H57FOSi3/c1-10-28(11-2,12-3)23-19-21-25(26,27-30(16-7,17-8)18-9)22-20-24-29(13-4,14-5)15-6/h10-24H2,1-9H3
InChIKeyJCRCODBLHSCYGN-UHFFFAOYSA-N
MW476.99 g/mol
LogP10.25
Rot. Bonds19

About triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane

triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane (PubChem CID 140750839) has the molecular formula C25H57FOSi3 and a molecular weight of 476.99 g/mol. Its IUPAC name is triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane
PubChem CID140750839
Molecular FormulaC25H57FOSi3
Molecular Weight476.99 g/mol
Exact Mass476.37
IUPAC Nametriethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)CCCC(F)(CCC[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H57FOSi3/c1-10-28(11-2,12-3)23-19-21-25(26,27-30(16-7,17-8)18-9)22-20-24-29(13-4,14-5)15-6/h10-24H2,1-9H3
InChIKeyJCRCODBLHSCYGN-UHFFFAOYSA-N
XLogP10.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane?
The IUPAC name of triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane (CID 140750839) is triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane?
The canonical SMILES for triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane is CC[Si](CC)(CC)CCCC(F)(CCC[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane?
The InChIKey is JCRCODBLHSCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H57FOSi3/c1-10-28(11-2,12-3)23-19-21-25(26,27-30(16-7,17-8)18-9)22-20-24-29(13-4,14-5)15-6/h10-24H2,1-9H3.
What are the key properties of triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane?
triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane has a molecular weight of 476.99 g/mol, XLogP of 10.25, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-fluoro-1,7-bis(triethylsilyl)heptan-4-yl]oxysilane is sourced from PubChem (CID 140750839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).