4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane

C24H38O2Si2 — CID 66773415

IUPAC4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
SMILESCC[Si](CC)(CCCC[Si](CC)(CC)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H38O2Si2/c1-5-27(6-2,25-23-17-11-9-12-18-23)21-15-16-22-28(7-3,8-4)26-24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,1-4H3
InChIKeyORISVBIGPOPGBK-UHFFFAOYSA-N
MW414.74 g/mol
LogP7.90
Rot. Bonds13

About 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane

4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane (PubChem CID 66773415) has the molecular formula C24H38O2Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane.

Molecular Properties

Compound Name4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
PubChem CID66773415
Molecular FormulaC24H38O2Si2
Molecular Weight414.74 g/mol
Exact Mass414.24
IUPAC Name4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
SMILESCC[Si](CC)(CCCC[Si](CC)(CC)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H38O2Si2/c1-5-27(6-2,25-23-17-11-9-12-18-23)21-15-16-22-28(7-3,8-4)26-24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,1-4H3
InChIKeyORISVBIGPOPGBK-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4-benzylphenoxy)-triethylsilane
CID 102358049
ethyl-diphenoxy-propylsilane
CID 140623858
diiodo-octyl-phenoxysilane
CID 140744994
methyl 3-[4-[diethyl(4-phenylbutyl)silyl]oxyphenoxy]propanoate
CID 102158896
ethyl-[[ethyl(diphenoxy)silyl]methyl]-diphenoxysilane
CID 66773814
butyl-diiodo-phenoxysilane
CID 140745005
butyl-iodo-methyl-phenoxysilane
CID 154487021
phenoxy-diphenyl-propylsilane
CID 66773867
ethoxy-diethyl-phenoxysilane
CID 15146062
(4-chlorophenoxy)-trihexylsilane
CID 532625
1-triphenoxysilylpropane-1-thiol
CID 22019778
bromo-ethoxy-hexyl-phenoxysilane
CID 140745144

Frequently Asked Questions

What is the IUPAC name of 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane?
The IUPAC name of 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane (CID 66773415) is 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane.
What is the SMILES notation for 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane?
The canonical SMILES for 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane is CC[Si](CC)(CCCC[Si](CC)(CC)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane?
The InChIKey is ORISVBIGPOPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2Si2/c1-5-27(6-2,25-23-17-11-9-12-18-23)21-15-16-22-28(7-3,8-4)26-24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,1-4H3.
What are the key properties of 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane?
4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane has a molecular weight of 414.74 g/mol, XLogP of 7.90, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane is sourced from PubChem (CID 66773415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).