diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane

C28H58O2Si — CID 91745149

IUPACdiethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane
SMILESCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1
InChIInChI=1S/C28H58O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-31(6-2,7-3)30-28-24-22-27(4)23-25-28/h27-28H,5-26H2,1-4H3
InChIKeyZZLJDBXSHAXWMS-UHFFFAOYSA-N
MW454.86 g/mol
LogP9.95
Rot. Bonds21

About diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane

diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane (PubChem CID 91745149) has the molecular formula C28H58O2Si and a molecular weight of 454.86 g/mol. Its IUPAC name is diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane.

Molecular Properties

Compound Namediethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane
PubChem CID91745149
Molecular FormulaC28H58O2Si
Molecular Weight454.86 g/mol
Exact Mass454.42
IUPAC Namediethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane
SMILESCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1
InChIInChI=1S/C28H58O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-31(6-2,7-3)30-28-24-22-27(4)23-25-28/h27-28H,5-26H2,1-4H3
InChIKeyZZLJDBXSHAXWMS-UHFFFAOYSA-N
XLogP9.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 59.95
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

decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-(4-methylcyclohexyl)oxy-(2-methylpropoxy)silane
CID 91738036
diethyl-(2-methoxyethoxy)-octoxysilane
CID 91739391
dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane
CID 91743336
butoxy-(4-methylcyclohexyl)oxy-diphenylsilane
CID 91741215
diethyl-hexadecoxy-(2-methylpropoxy)silane
CID 91744158

Frequently Asked Questions

What is the IUPAC name of diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane?
The IUPAC name of diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane (CID 91745149) is diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane.
What is the SMILES notation for diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane?
The canonical SMILES for diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane is CCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1.
What is the InChIKey of diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane?
The InChIKey is ZZLJDBXSHAXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-31(6-2,7-3)30-28-24-22-27(4)23-25-28/h27-28H,5-26H2,1-4H3.
What are the key properties of diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane?
diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane has a molecular weight of 454.86 g/mol, XLogP of 9.95, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptadecoxy-(4-methylcyclohexyl)oxysilane is sourced from PubChem (CID 91745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).