[4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane

C18H37NO2Si — CID 154717344

IUPAC[4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane
SMILESCC(C)(C)C1CCC(CN2CCOCC2)(O[Si](C)(C)C)CC1
InChIInChI=1S/C18H37NO2Si/c1-17(2,3)16-7-9-18(10-8-16,21-22(4,5)6)15-19-11-13-20-14-12-19/h16H,7-15H2,1-6H3
InChIKeyURBCSOQATQDBRM-UHFFFAOYSA-N
MW327.59 g/mol
LogP4.15
Rot. Bonds4

About [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane

[4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane (PubChem CID 154717344) has the molecular formula C18H37NO2Si and a molecular weight of 327.59 g/mol. Its IUPAC name is [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane
PubChem CID154717344
Molecular FormulaC18H37NO2Si
Molecular Weight327.59 g/mol
Exact Mass327.26
IUPAC Name[4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane
SMILESCC(C)(C)C1CCC(CN2CCOCC2)(O[Si](C)(C)C)CC1
InChIInChI=1S/C18H37NO2Si/c1-17(2,3)16-7-9-18(10-8-16,21-22(4,5)6)15-19-11-13-20-14-12-19/h16H,7-15H2,1-6H3
InChIKeyURBCSOQATQDBRM-UHFFFAOYSA-N
XLogP4.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.59
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane?
The IUPAC name of [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane (CID 154717344) is [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane is CC(C)(C)C1CCC(CN2CCOCC2)(O[Si](C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane?
The InChIKey is URBCSOQATQDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2Si/c1-17(2,3)16-7-9-18(10-8-16,21-22(4,5)6)15-19-11-13-20-14-12-19/h16H,7-15H2,1-6H3.
What are the key properties of [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane?
[4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane has a molecular weight of 327.59 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 154717344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).