2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane

C20H35NO2Si — CID 173376934

IUPAC2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane
SMILESC[SiH2]C(C)(C)Oc1ccc(CC(C)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C20H35NO2Si/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)23-20(4,5)24-6/h7-10,15-17H,11-14,24H2,1-6H3
InChIKeyROLMMOUPVAHPRA-UHFFFAOYSA-N
MW349.59 g/mol
LogP3.31
Rot. Bonds7

About 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane

2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane (PubChem CID 173376934) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane.

Molecular Properties

Compound Name2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane
PubChem CID173376934
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane
SMILESC[SiH2]C(C)(C)Oc1ccc(CC(C)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C20H35NO2Si/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)23-20(4,5)24-6/h7-10,15-17H,11-14,24H2,1-6H3
InChIKeyROLMMOUPVAHPRA-UHFFFAOYSA-N
XLogP3.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 53.31
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 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane?
The IUPAC name of 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane (CID 173376934) is 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane.
What is the SMILES notation for 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane?
The canonical SMILES for 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane is C[SiH2]C(C)(C)Oc1ccc(CC(C)CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane?
The InChIKey is ROLMMOUPVAHPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)23-20(4,5)24-6/h7-10,15-17H,11-14,24H2,1-6H3.
What are the key properties of 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane?
2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane has a molecular weight of 349.59 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane is sourced from PubChem (CID 173376934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).