diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane

C27H56O2Si — CID 91744959

IUPACdiethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane
SMILESCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1
InChIInChI=1S/C27H56O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-30(6-2,7-3)29-27-23-21-26(4)22-24-27/h26-27H,5-25H2,1-4H3
InChIKeyVJOWNTDMNDCUHT-UHFFFAOYSA-N
MW440.83 g/mol
LogP9.56
Rot. Bonds20

About diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane

diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane (PubChem CID 91744959) has the molecular formula C27H56O2Si and a molecular weight of 440.83 g/mol. Its IUPAC name is diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane.

Molecular Properties

Compound Namediethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane
PubChem CID91744959
Molecular FormulaC27H56O2Si
Molecular Weight440.83 g/mol
Exact Mass440.40
IUPAC Namediethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane
SMILESCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1
InChIInChI=1S/C27H56O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-30(6-2,7-3)29-27-23-21-26(4)22-24-27/h26-27H,5-25H2,1-4H3
InChIKeyVJOWNTDMNDCUHT-UHFFFAOYSA-N
XLogP9.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 59.56
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-hexadecoxy-(4-methylcyclohexyl)oxysilane?
The IUPAC name of diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane (CID 91744959) is diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane.
What is the SMILES notation for diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane?
The canonical SMILES for diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane is CCCCCCCCCCCCCCCCO[Si](CC)(CC)OC1CCC(C)CC1.
What is the InChIKey of diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane?
The InChIKey is VJOWNTDMNDCUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-30(6-2,7-3)29-27-23-21-26(4)22-24-27/h26-27H,5-25H2,1-4H3.
What are the key properties of diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane?
diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane has a molecular weight of 440.83 g/mol, XLogP of 9.56, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexadecoxy-(4-methylcyclohexyl)oxysilane is sourced from PubChem (CID 91744959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).