diethyl-(4-methylpentoxy)-octan-4-yloxysilane

C18H40O2Si — CID 91698414

IUPACdiethyl-(4-methylpentoxy)-octan-4-yloxysilane
SMILESCCCCC(CCC)O[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-11-15-18(13-8-2)20-21(9-3,10-4)19-16-12-14-17(5)6/h17-18H,7-16H2,1-6H3
InChIKeyIKXWDMQNIJLTFN-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.30
Rot. Bonds14

About diethyl-(4-methylpentoxy)-octan-4-yloxysilane

diethyl-(4-methylpentoxy)-octan-4-yloxysilane (PubChem CID 91698414) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is diethyl-(4-methylpentoxy)-octan-4-yloxysilane.

Molecular Properties

Compound Namediethyl-(4-methylpentoxy)-octan-4-yloxysilane
PubChem CID91698414
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namediethyl-(4-methylpentoxy)-octan-4-yloxysilane
SMILESCCCCC(CCC)O[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-11-15-18(13-8-2)20-21(9-3,10-4)19-16-12-14-17(5)6/h17-18H,7-16H2,1-6H3
InChIKeyIKXWDMQNIJLTFN-UHFFFAOYSA-N
XLogP6.30
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 ≤ 56.30
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

6-Methylheptyl-tri(propan-2-yloxy)silane
CID 163237530
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, diethyl(3,3-dimethylbut-2-yloxy)isohexyloxy-
CID 91698395
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisobutoxy(4-octyloxy)-
CID 91699659
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(4-octyloxy)propoxy-
CID 91714757
Silane, diethylbutoxy(4-octyloxy)-
CID 91719427
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylpentoxy)-octan-4-yloxysilane?
The IUPAC name of diethyl-(4-methylpentoxy)-octan-4-yloxysilane (CID 91698414) is diethyl-(4-methylpentoxy)-octan-4-yloxysilane.
What is the SMILES notation for diethyl-(4-methylpentoxy)-octan-4-yloxysilane?
The canonical SMILES for diethyl-(4-methylpentoxy)-octan-4-yloxysilane is CCCCC(CCC)O[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-(4-methylpentoxy)-octan-4-yloxysilane?
The InChIKey is IKXWDMQNIJLTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-7-11-15-18(13-8-2)20-21(9-3,10-4)19-16-12-14-17(5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of diethyl-(4-methylpentoxy)-octan-4-yloxysilane?
diethyl-(4-methylpentoxy)-octan-4-yloxysilane has a molecular weight of 316.60 g/mol, XLogP of 6.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylpentoxy)-octan-4-yloxysilane is sourced from PubChem (CID 91698414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).