(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane

C17H38F2O6Si2 — CID 87839555

IUPAC(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C)C(F)(F)C(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H38F2O6Si2/c1-9-20-26(21-10-2,22-11-3)15(7)17(18,19)16(8)27(23-12-4,24-13-5)25-14-6/h15-16H,9-14H2,1-8H3
InChIKeyIRHQDPXATGDTJD-UHFFFAOYSA-N
MW432.65 g/mol
LogP4.50
Rot. Bonds16

About (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane

(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane (PubChem CID 87839555) has the molecular formula C17H38F2O6Si2 and a molecular weight of 432.65 g/mol. Its IUPAC name is (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane.

Molecular Properties

Compound Name(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
PubChem CID87839555
Molecular FormulaC17H38F2O6Si2
Molecular Weight432.65 g/mol
Exact Mass432.22
IUPAC Name(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C)C(F)(F)C(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H38F2O6Si2/c1-9-20-26(21-10-2,22-11-3)15(7)17(18,19)16(8)27(23-12-4,24-13-5)25-14-6/h15-16H,9-14H2,1-8H3
InChIKeyIRHQDPXATGDTJD-UHFFFAOYSA-N
XLogP4.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.65
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane?
The IUPAC name of (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane (CID 87839555) is (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane.
What is the SMILES notation for (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane?
The canonical SMILES for (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane is CCO[Si](OCC)(OCC)C(C)C(F)(F)C(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane?
The InChIKey is IRHQDPXATGDTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38F2O6Si2/c1-9-20-26(21-10-2,22-11-3)15(7)17(18,19)16(8)27(23-12-4,24-13-5)25-14-6/h15-16H,9-14H2,1-8H3.
What are the key properties of (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane?
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane has a molecular weight of 432.65 g/mol, XLogP of 4.50, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane is sourced from PubChem (CID 87839555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).