diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane

C18H40O3Si — CID 91735306

IUPACdiethyl-(4-methoxy-2-methylbutoxy)-octoxysilane
SMILESCCCCCCCCO[Si](CC)(CC)OCC(C)CCOC
InChIInChI=1S/C18H40O3Si/c1-6-9-10-11-12-13-15-20-22(7-2,8-3)21-17-18(4)14-16-19-5/h18H,6-17H2,1-5H3
InChIKeyOLGHPENYUVSETQ-UHFFFAOYSA-N
MW332.60 g/mol
LogP5.53
Rot. Bonds16

About diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane

diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane (PubChem CID 91735306) has the molecular formula C18H40O3Si and a molecular weight of 332.60 g/mol. Its IUPAC name is diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane.

Molecular Properties

Compound Namediethyl-(4-methoxy-2-methylbutoxy)-octoxysilane
PubChem CID91735306
Molecular FormulaC18H40O3Si
Molecular Weight332.60 g/mol
Exact Mass332.27
IUPAC Namediethyl-(4-methoxy-2-methylbutoxy)-octoxysilane
SMILESCCCCCCCCO[Si](CC)(CC)OCC(C)CCOC
InChIInChI=1S/C18H40O3Si/c1-6-9-10-11-12-13-15-20-22(7-2,8-3)21-17-18(4)14-16-19-5/h18H,6-17H2,1-5H3
InChIKeyOLGHPENYUVSETQ-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
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
Silane, diethyldioctyloxy-
CID 23342511

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane?
The IUPAC name of diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane (CID 91735306) is diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane.
What is the SMILES notation for diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane?
The canonical SMILES for diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane is CCCCCCCCO[Si](CC)(CC)OCC(C)CCOC.
What is the InChIKey of diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane?
The InChIKey is OLGHPENYUVSETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si/c1-6-9-10-11-12-13-15-20-22(7-2,8-3)21-17-18(4)14-16-19-5/h18H,6-17H2,1-5H3.
What are the key properties of diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane?
diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane has a molecular weight of 332.60 g/mol, XLogP of 5.53, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methoxy-2-methylbutoxy)-octoxysilane is sourced from PubChem (CID 91735306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).