diethyl-(2-ethylhexoxy)-nonoxysilane

C21H46O2Si — CID 91742904

IUPACdiethyl-(2-ethylhexoxy)-nonoxysilane
SMILESCCCCCCCCCO[Si](CC)(CC)OCC(CC)CCCC
InChIInChI=1S/C21H46O2Si/c1-6-11-13-14-15-16-17-19-22-24(9-4,10-5)23-20-21(8-3)18-12-7-2/h21H,6-20H2,1-5H3
InChIKeySYXPPTQRCVELCN-UHFFFAOYSA-N
MW358.68 g/mol
LogP7.47
Rot. Bonds18

About diethyl-(2-ethylhexoxy)-nonoxysilane

diethyl-(2-ethylhexoxy)-nonoxysilane (PubChem CID 91742904) has the molecular formula C21H46O2Si and a molecular weight of 358.68 g/mol. Its IUPAC name is diethyl-(2-ethylhexoxy)-nonoxysilane.

Molecular Properties

Compound Namediethyl-(2-ethylhexoxy)-nonoxysilane
PubChem CID91742904
Molecular FormulaC21H46O2Si
Molecular Weight358.68 g/mol
Exact Mass358.33
IUPAC Namediethyl-(2-ethylhexoxy)-nonoxysilane
SMILESCCCCCCCCCO[Si](CC)(CC)OCC(CC)CCCC
InChIInChI=1S/C21H46O2Si/c1-6-11-13-14-15-16-17-19-22-24(9-4,10-5)23-20-21(8-3)18-12-7-2/h21H,6-20H2,1-5H3
InChIKeySYXPPTQRCVELCN-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 57.47
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

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216
1-Tridecanol, tBDMS
CID 6430224
1-Undecanol, tBDMS
CID 6430225

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-ethylhexoxy)-nonoxysilane?
The IUPAC name of diethyl-(2-ethylhexoxy)-nonoxysilane (CID 91742904) is diethyl-(2-ethylhexoxy)-nonoxysilane.
What is the SMILES notation for diethyl-(2-ethylhexoxy)-nonoxysilane?
The canonical SMILES for diethyl-(2-ethylhexoxy)-nonoxysilane is CCCCCCCCCO[Si](CC)(CC)OCC(CC)CCCC.
What is the InChIKey of diethyl-(2-ethylhexoxy)-nonoxysilane?
The InChIKey is SYXPPTQRCVELCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O2Si/c1-6-11-13-14-15-16-17-19-22-24(9-4,10-5)23-20-21(8-3)18-12-7-2/h21H,6-20H2,1-5H3.
What are the key properties of diethyl-(2-ethylhexoxy)-nonoxysilane?
diethyl-(2-ethylhexoxy)-nonoxysilane has a molecular weight of 358.68 g/mol, XLogP of 7.47, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-ethylhexoxy)-nonoxysilane is sourced from PubChem (CID 91742904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).