diethyl-(4-methylpentoxy)-undecoxysilane

C21H46O2Si — CID 91742776

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

About diethyl-(4-methylpentoxy)-undecoxysilane

diethyl-(4-methylpentoxy)-undecoxysilane (PubChem CID 91742776) has the molecular formula C21H46O2Si and a molecular weight of 358.68 g/mol. Its IUPAC name is diethyl-(4-methylpentoxy)-undecoxysilane.

Molecular Properties

Compound Namediethyl-(4-methylpentoxy)-undecoxysilane
PubChem CID91742776
Molecular FormulaC21H46O2Si
Molecular Weight358.68 g/mol
Exact Mass358.33
IUPAC Namediethyl-(4-methylpentoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C21H46O2Si/c1-6-9-10-11-12-13-14-15-16-19-22-24(7-2,8-3)23-20-17-18-21(4)5/h21H,6-20H2,1-5H3
InChIKeyMKNHNJBXTKSTCV-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
Tert-butyldimethyl(nonyloxy)silane
CID 6430217
1-Octanol, tBDMS
CID 6430219
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
1-Triethylsilyloxydecane
CID 523468
1-Tripropylsilyloxytetradecane
CID 523478
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1,10-decanediol, tBDMS
CID 6430197

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylpentoxy)-undecoxysilane?
The IUPAC name of diethyl-(4-methylpentoxy)-undecoxysilane (CID 91742776) is diethyl-(4-methylpentoxy)-undecoxysilane.
What is the SMILES notation for diethyl-(4-methylpentoxy)-undecoxysilane?
The canonical SMILES for diethyl-(4-methylpentoxy)-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-(4-methylpentoxy)-undecoxysilane?
The InChIKey is MKNHNJBXTKSTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O2Si/c1-6-9-10-11-12-13-14-15-16-19-22-24(7-2,8-3)23-20-17-18-21(4)5/h21H,6-20H2,1-5H3.
What are the key properties of diethyl-(4-methylpentoxy)-undecoxysilane?
diethyl-(4-methylpentoxy)-undecoxysilane 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-(4-methylpentoxy)-undecoxysilane is sourced from PubChem (CID 91742776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).