tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane

C22H39NO2Si — CID 18948836

IUPACtert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane
SMILESCC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C22H39NO2Si/c1-17(14-23-15-18(2)24-19(3)16-23)13-20-9-11-21(12-10-20)25-26(7,8)22(4,5)6/h9-12,17-19H,13-16H2,1-8H3
InChIKeyDMPDRCXDYVASET-UHFFFAOYSA-N
MW377.65 g/mol
LogP5.36
Rot. Bonds6

About tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane

tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane (PubChem CID 18948836) has the molecular formula C22H39NO2Si and a molecular weight of 377.65 g/mol. Its IUPAC name is tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane
PubChem CID18948836
Molecular FormulaC22H39NO2Si
Molecular Weight377.65 g/mol
Exact Mass377.28
IUPAC Nametert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane
SMILESCC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C22H39NO2Si/c1-17(14-23-15-18(2)24-19(3)16-23)13-20-9-11-21(12-10-20)25-26(7,8)22(4,5)6/h9-12,17-19H,13-16H2,1-8H3
InChIKeyDMPDRCXDYVASET-UHFFFAOYSA-N
XLogP5.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.65
LogP ≤ 55.36
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 tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane (CID 18948836) is tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane is CC(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)CN1CC(C)OC(C)C1.
What is the InChIKey of tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane?
The InChIKey is DMPDRCXDYVASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2Si/c1-17(14-23-15-18(2)24-19(3)16-23)13-20-9-11-21(12-10-20)25-26(7,8)22(4,5)6/h9-12,17-19H,13-16H2,1-8H3.
What are the key properties of tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane has a molecular weight of 377.65 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 18948836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).