diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane

C17H36O2Si — CID 91740147

IUPACdiethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane
SMILESCC[Si](CC)(OCCCC(C)C)OC1CCC(C)CC1
InChIInChI=1S/C17H36O2Si/c1-6-20(7-2,18-14-8-9-15(3)4)19-17-12-10-16(5)11-13-17/h15-17H,6-14H2,1-5H3
InChIKeyLUBTZBLUWYEJNK-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.52
Rot. Bonds9

About diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane

diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane (PubChem CID 91740147) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane.

Molecular Properties

Compound Namediethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane
PubChem CID91740147
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namediethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane
SMILESCC[Si](CC)(OCCCC(C)C)OC1CCC(C)CC1
InChIInChI=1S/C17H36O2Si/c1-6-20(7-2,18-14-8-9-15(3)4)19-17-12-10-16(5)11-13-17/h15-17H,6-14H2,1-5H3
InChIKeyLUBTZBLUWYEJNK-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.52
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, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, trimethyl[(4-methylcyclohexyl)oxy]-, trans-
CID 520561
Ethyl 5-(sec-butylsulfanyl)-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylate
CID 529215
Tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane
CID 161066667
Cyclohexanol, 2-methyl, DMTBS
CID 529214
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethyl(cis-4-methylcyclohexyloxy)(trans-4-methylcyclohexyloxy)-
CID 91699932
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethylpropoxy(trans-4-methylcyclohexyloxy)-
CID 91714755
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane?
The IUPAC name of diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane (CID 91740147) is diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane.
What is the SMILES notation for diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane?
The canonical SMILES for diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane is CC[Si](CC)(OCCCC(C)C)OC1CCC(C)CC1.
What is the InChIKey of diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane?
The InChIKey is LUBTZBLUWYEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-6-20(7-2,18-14-8-9-15(3)4)19-17-12-10-16(5)11-13-17/h15-17H,6-14H2,1-5H3.
What are the key properties of diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane?
diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane has a molecular weight of 300.56 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylcyclohexyl)oxy-(4-methylpentoxy)silane is sourced from PubChem (CID 91740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).