dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane

C20H46O5Si2 — CID 545962

IUPACdibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane
SMILESCCCCO[Si](CC)(OCCCC)O[Si](CC)(OCCCC)OCCCC
InChIInChI=1S/C20H46O5Si2/c1-7-13-17-21-26(11-5,22-18-14-8-2)25-27(12-6,23-19-15-9-3)24-20-16-10-4/h7-20H2,1-6H3
InChIKeyVJNJRFUQQOHPRG-UHFFFAOYSA-N
MW422.76 g/mol
LogP6.19
Rot. Bonds20

About dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane

dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane (PubChem CID 545962) has the molecular formula C20H46O5Si2 and a molecular weight of 422.76 g/mol. Its IUPAC name is dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane.

Molecular Properties

Compound Namedibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane
PubChem CID545962
Molecular FormulaC20H46O5Si2
Molecular Weight422.76 g/mol
Exact Mass422.29
IUPAC Namedibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane
SMILESCCCCO[Si](CC)(OCCCC)O[Si](CC)(OCCCC)OCCCC
InChIInChI=1S/C20H46O5Si2/c1-7-13-17-21-26(11-5,22-18-14-8-2)25-27(12-6,23-19-15-9-3)24-20-16-10-4/h7-20H2,1-6H3
InChIKeyVJNJRFUQQOHPRG-UHFFFAOYSA-N
XLogP6.19
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.76
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl(tripropoxy)silane;tributoxy(ethyl)silane
CID 160706387
ethyl-methoxy-dipentoxysilane;ethylsilane
CID 157076319
butoxy-butyl-dimethoxysilane
CID 139714527
tributoxy(3-iodopropyl)silane
CID 141455003
tributoxy(2,3,3-trifluoropropyl)silane
CID 87364687
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
dibutoxy-ethyl-prop-1-en-2-ylsilane
CID 158701403
tributoxy(4-chlorobutyl)silane
CID 141455005
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
dibutoxy-ethyl-propylsilane
CID 22556349
butoxy-dibutyl-ethylsilane
CID 141095554

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane?
The IUPAC name of dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane (CID 545962) is dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane.
What is the SMILES notation for dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane?
The canonical SMILES for dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane is CCCCO[Si](CC)(OCCCC)O[Si](CC)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane?
The InChIKey is VJNJRFUQQOHPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O5Si2/c1-7-13-17-21-26(11-5,22-18-14-8-2)25-27(12-6,23-19-15-9-3)24-20-16-10-4/h7-20H2,1-6H3.
What are the key properties of dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane?
dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane has a molecular weight of 422.76 g/mol, XLogP of 6.19, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[dibutoxy(ethyl)silyl]oxy-ethylsilane is sourced from PubChem (CID 545962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).