diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane

C18H40O2Si — CID 91741054

IUPACdiethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane
SMILESCCCCC(CC)CO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-11-14-18(8-2)16-20-21(9-3,10-4)19-15-12-13-17(5)6/h17-18H,7-16H2,1-6H3
InChIKeyZOHGYDBMHZREGN-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.15
Rot. Bonds14

About diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane

diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane (PubChem CID 91741054) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane.

Molecular Properties

Compound Namediethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane
PubChem CID91741054
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namediethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane
SMILESCCCCC(CC)CO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-11-14-18(8-2)16-20-21(9-3,10-4)19-15-12-13-17(5)6/h17-18H,7-16H2,1-6H3
InChIKeyZOHGYDBMHZREGN-UHFFFAOYSA-N
XLogP6.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.15
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-(2-ethylbutoxy)-pentoxysilane
CID 91738238
diethyl-hexadecoxy-(2-methylpropoxy)silane
CID 91744158
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142
diethyl-(4-methylpentoxy)-pentan-2-yloxysilane
CID 91738212
dodecoxy-diethyl-(2-methylpentoxy)silane
CID 91743359
dodecoxy-(2-ethylhexoxy)-dimethylsilane
CID 91743791
decoxy-diethyl-(2-methylpentoxy)silane
CID 91742310
ethyl-(2-ethylhexoxy)-dimethoxysilane
CID 175827812
ethyl tris(2-ethylhexyl) silicate
CID 20542505
tributyl(2-ethylhexoxy)silane
CID 623167
dibutoxy-ethyl-(2-methylpropyl)silane
CID 87899678
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane?
The IUPAC name of diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane (CID 91741054) is diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane.
What is the SMILES notation for diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane?
The canonical SMILES for diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane is CCCCC(CC)CO[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane?
The InChIKey is ZOHGYDBMHZREGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-7-11-14-18(8-2)16-20-21(9-3,10-4)19-15-12-13-17(5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane?
diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane has a molecular weight of 316.60 g/mol, XLogP of 6.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-ethylhexoxy)-(4-methylpentoxy)silane is sourced from PubChem (CID 91741054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).