diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane

C29H60O2Si — CID 91745322

IUPACdiethyl-(4-methylcyclohexyl)oxy-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1
InChIInChI=1S/C29H60O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-32(6-2,7-3)31-29-25-23-28(4)24-26-29/h28-29H,5-27H2,1-4H3
InChIKeyOZUZUVFENFQBNQ-UHFFFAOYSA-N
MW468.88 g/mol
LogP10.34
Rot. Bonds22

About diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane

diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane (PubChem CID 91745322) has the molecular formula C29H60O2Si and a molecular weight of 468.88 g/mol. Its IUPAC name is diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane.

Molecular Properties

Compound Namediethyl-(4-methylcyclohexyl)oxy-octadecoxysilane
PubChem CID91745322
Molecular FormulaC29H60O2Si
Molecular Weight468.88 g/mol
Exact Mass468.44
IUPAC Namediethyl-(4-methylcyclohexyl)oxy-octadecoxysilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1
InChIInChI=1S/C29H60O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-32(6-2,7-3)31-29-25-23-28(4)24-26-29/h28-29H,5-27H2,1-4H3
InChIKeyOZUZUVFENFQBNQ-UHFFFAOYSA-N
XLogP10.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 510.34
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, trimethyl[(4-methylcyclohexyl)oxy]-, trans-
CID 520561
Ethyl 5-(sec-butylsulfanyl)-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylate
CID 529215
[2-(2-Cyclohexylethoxy)-3-fluoropropyl]-tri(propan-2-yl)silane
CID 101955855
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
Tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
Tert-butyl-[4-[(3-fluorocyclohexyl)methyl]cyclohexyl]oxy-dimethylsilane
CID 140449683
Tert-butyl-[4-[(3-fluoro-4-methoxycyclohexyl)methyl]cyclohexyl]oxy-dimethylsilane
CID 140449789
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

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane?
The IUPAC name of diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane (CID 91745322) is diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane.
What is the SMILES notation for diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane?
The canonical SMILES for diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane is CCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1.
What is the InChIKey of diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane?
The InChIKey is OZUZUVFENFQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-32(6-2,7-3)31-29-25-23-28(4)24-26-29/h28-29H,5-27H2,1-4H3.
What are the key properties of diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane?
diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane has a molecular weight of 468.88 g/mol, XLogP of 10.34, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-methylcyclohexyl)oxy-octadecoxysilane is sourced from PubChem (CID 91745322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).