butoxy-diethyl-octan-4-yloxysilane

C16H36O2Si — CID 91719427

IUPACbutoxy-diethyl-octan-4-yloxysilane
SMILESCCCCO[Si](CC)(CC)OC(CCC)CCCC
InChIInChI=1S/C16H36O2Si/c1-6-11-14-16(13-8-3)18-19(9-4,10-5)17-15-12-7-2/h16H,6-15H2,1-5H3
InChIKeyMNRPSNNWTRTESG-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.66
Rot. Bonds13

About butoxy-diethyl-octan-4-yloxysilane

butoxy-diethyl-octan-4-yloxysilane (PubChem CID 91719427) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is butoxy-diethyl-octan-4-yloxysilane.

Molecular Properties

Compound Namebutoxy-diethyl-octan-4-yloxysilane
PubChem CID91719427
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namebutoxy-diethyl-octan-4-yloxysilane
SMILESCCCCO[Si](CC)(CC)OC(CCC)CCCC
InChIInChI=1S/C16H36O2Si/c1-6-11-14-16(13-8-3)18-19(9-4,10-5)17-15-12-7-2/h16H,6-15H2,1-5H3
InChIKeyMNRPSNNWTRTESG-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.66
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

Diethoxymethyloctadecylsilane
CID 105838
Silane, dodecyldiethoxymethyl-
CID 108922
Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
1-Triethylsilyloxydecane
CID 523468
1-Tripropylsilyloxytetradecane
CID 523478
2-nonanol, tBDMS
CID 6430237
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Silane, dimethyl(2-heptyloxy)propoxy-
CID 91723694
1-Octadecanol, triethylsilyl ether
CID 523472

Frequently Asked Questions

What is the IUPAC name of butoxy-diethyl-octan-4-yloxysilane?
The IUPAC name of butoxy-diethyl-octan-4-yloxysilane (CID 91719427) is butoxy-diethyl-octan-4-yloxysilane.
What is the SMILES notation for butoxy-diethyl-octan-4-yloxysilane?
The canonical SMILES for butoxy-diethyl-octan-4-yloxysilane is CCCCO[Si](CC)(CC)OC(CCC)CCCC.
What is the InChIKey of butoxy-diethyl-octan-4-yloxysilane?
The InChIKey is MNRPSNNWTRTESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-6-11-14-16(13-8-3)18-19(9-4,10-5)17-15-12-7-2/h16H,6-15H2,1-5H3.
What are the key properties of butoxy-diethyl-octan-4-yloxysilane?
butoxy-diethyl-octan-4-yloxysilane has a molecular weight of 288.55 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethyl-octan-4-yloxysilane is sourced from PubChem (CID 91719427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).