tributyl-(3,5-dimethylcyclohexyl)oxysilane

C20H42OSi — CID 622800

IUPACtributyl-(3,5-dimethylcyclohexyl)oxysilane
SMILESCCCC[Si](CCCC)(CCCC)OC1CC(C)CC(C)C1
InChIInChI=1S/C20H42OSi/c1-6-9-12-22(13-10-7-2,14-11-8-3)21-20-16-18(4)15-19(5)17-20/h18-20H,6-17H2,1-5H3
InChIKeySLBFEZVKSGFREP-UHFFFAOYSA-N
MW326.64 g/mol
LogP7.17
Rot. Bonds11

About tributyl-(3,5-dimethylcyclohexyl)oxysilane

tributyl-(3,5-dimethylcyclohexyl)oxysilane (PubChem CID 622800) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is tributyl-(3,5-dimethylcyclohexyl)oxysilane.

Molecular Properties

Compound Nametributyl-(3,5-dimethylcyclohexyl)oxysilane
PubChem CID622800
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Nametributyl-(3,5-dimethylcyclohexyl)oxysilane
SMILESCCCC[Si](CCCC)(CCCC)OC1CC(C)CC(C)C1
InChIInChI=1S/C20H42OSi/c1-6-9-12-22(13-10-7-2,14-11-8-3)21-20-16-18(4)15-19(5)17-20/h18-20H,6-17H2,1-5H3
InChIKeySLBFEZVKSGFREP-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
3,3,5-Trimethylcyclohexan-1-ol, tert-butyldimethylsilyl ether
CID 13492542
Silane, diethyl(cis-4-methylcyclohexyloxy)pentyloxy-
CID 91739076
Silane, diethylisohexyloxy(trans-4-methylcyclohexyloxy)-
CID 91740147
Silane, diethyl(cis-4-methylcyclohexyloxy)hexyloxy-
CID 91740167
3,3,5-Trimethylcyclohexan-1-ol, trimethylsilyl ether
CID 91754056
1-Trimethylsilyloxy-3,5-dimethylcyclohexane
CID 588579
Trimethyl-(3-pentadecylcyclohexyl)oxysilane
CID 155666243
tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11288711
Triethyl-(2,2,6-trimethylcyclohexyl)oxysilane
CID 12172060
Triethyl-(2,2,6,6-tetramethylcyclohexyl)oxysilane
CID 12172061
Dicyclohexylmethoxy(triethyl)silane
CID 12172082

Frequently Asked Questions

What is the IUPAC name of tributyl-(3,5-dimethylcyclohexyl)oxysilane?
The IUPAC name of tributyl-(3,5-dimethylcyclohexyl)oxysilane (CID 622800) is tributyl-(3,5-dimethylcyclohexyl)oxysilane.
What is the SMILES notation for tributyl-(3,5-dimethylcyclohexyl)oxysilane?
The canonical SMILES for tributyl-(3,5-dimethylcyclohexyl)oxysilane is CCCC[Si](CCCC)(CCCC)OC1CC(C)CC(C)C1.
What is the InChIKey of tributyl-(3,5-dimethylcyclohexyl)oxysilane?
The InChIKey is SLBFEZVKSGFREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42OSi/c1-6-9-12-22(13-10-7-2,14-11-8-3)21-20-16-18(4)15-19(5)17-20/h18-20H,6-17H2,1-5H3.
What are the key properties of tributyl-(3,5-dimethylcyclohexyl)oxysilane?
tributyl-(3,5-dimethylcyclohexyl)oxysilane has a molecular weight of 326.64 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,5-dimethylcyclohexyl)oxysilane is sourced from PubChem (CID 622800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).