trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane

C24H50O3Si2 — CID 70179355

IUPACtrimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCC1(OC2(COCC[Si](C)(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C24H50O3Si2/c1-28(2,3)19-17-25-21-23(13-9-7-10-14-23)27-24(15-11-8-12-16-24)22-26-18-20-29(4,5)6/h7-22H2,1-6H3
InChIKeyJMKYPPGYZRFILN-UHFFFAOYSA-N
MW442.83 g/mol
LogP7.12
Rot. Bonds12

About trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane

trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane (PubChem CID 70179355) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane
PubChem CID70179355
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Nametrimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCC1(OC2(COCC[Si](C)(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C24H50O3Si2/c1-28(2,3)19-17-25-21-23(13-9-7-10-14-23)27-24(15-11-8-12-16-24)22-26-18-20-29(4,5)6/h7-22H2,1-6H3
InChIKeyJMKYPPGYZRFILN-UHFFFAOYSA-N
XLogP7.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane (CID 70179355) is trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane is C[Si](C)(C)CCOCC1(OC2(COCC[Si](C)(C)C)CCCCC2)CCCCC1.
What is the InChIKey of trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane?
The InChIKey is JMKYPPGYZRFILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-28(2,3)19-17-25-21-23(13-9-7-10-14-23)27-24(15-11-8-12-16-24)22-26-18-20-29(4,5)6/h7-22H2,1-6H3.
What are the key properties of trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane?
trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane has a molecular weight of 442.83 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane is sourced from PubChem (CID 70179355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).