butoxy-diethyl-(1-phenylpropoxy)silane

C17H30O2Si — CID 91739737

IUPACbutoxy-diethyl-(1-phenylpropoxy)silane
SMILESCCCCO[Si](CC)(CC)OC(CC)c1ccccc1
InChIInChI=1S/C17H30O2Si/c1-5-9-15-18-20(7-3,8-4)19-17(6-2)16-13-11-10-12-14-16/h10-14,17H,5-9,15H2,1-4H3
InChIKeyIJFVAPMUZYPBDI-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.45
Rot. Bonds10

About butoxy-diethyl-(1-phenylpropoxy)silane

butoxy-diethyl-(1-phenylpropoxy)silane (PubChem CID 91739737) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is butoxy-diethyl-(1-phenylpropoxy)silane.

Molecular Properties

Compound Namebutoxy-diethyl-(1-phenylpropoxy)silane
PubChem CID91739737
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Namebutoxy-diethyl-(1-phenylpropoxy)silane
SMILESCCCCO[Si](CC)(CC)OC(CC)c1ccccc1
InChIInChI=1S/C17H30O2Si/c1-5-9-15-18-20(7-3,8-4)19-17(6-2)16-13-11-10-12-14-16/h10-14,17H,5-9,15H2,1-4H3
InChIKeyIJFVAPMUZYPBDI-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.45
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

diethyl-(1-phenylpropoxy)-undecoxysilane
CID 91743912
dimethyl-bis(1-phenylpropoxy)silane
CID 91741555
1-pentoxypropylbenzene
CID 57033372
diethyl-hexoxy-(2-phenylethoxy)silane
CID 91740585
dibutoxy-ethyl-(2-methylpropyl)silane
CID 87899678
[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
CID 140892730
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane
CID 91742948
dibutoxy-ethyl-propylsilane
CID 22556349
[dipentoxy(propyl)silyl]-phenylmethanol
CID 140892766
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
CID 66774480
CID 66774480
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843

Frequently Asked Questions

What is the IUPAC name of butoxy-diethyl-(1-phenylpropoxy)silane?
The IUPAC name of butoxy-diethyl-(1-phenylpropoxy)silane (CID 91739737) is butoxy-diethyl-(1-phenylpropoxy)silane.
What is the SMILES notation for butoxy-diethyl-(1-phenylpropoxy)silane?
The canonical SMILES for butoxy-diethyl-(1-phenylpropoxy)silane is CCCCO[Si](CC)(CC)OC(CC)c1ccccc1.
What is the InChIKey of butoxy-diethyl-(1-phenylpropoxy)silane?
The InChIKey is IJFVAPMUZYPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-5-9-15-18-20(7-3,8-4)19-17(6-2)16-13-11-10-12-14-16/h10-14,17H,5-9,15H2,1-4H3.
What are the key properties of butoxy-diethyl-(1-phenylpropoxy)silane?
butoxy-diethyl-(1-phenylpropoxy)silane has a molecular weight of 294.51 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethyl-(1-phenylpropoxy)silane is sourced from PubChem (CID 91739737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).