1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol

C20H35NO3Si — CID 54253368

IUPAC1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol
SMILESCC1CN(C(c2ccc(OC(C)[Si](C)(C)C)cc2)C(C)O)CC(C)O1
InChIInChI=1S/C20H35NO3Si/c1-14-12-21(13-15(2)23-14)20(16(3)22)18-8-10-19(11-9-18)24-17(4)25(5,6)7/h8-11,14-17,20,22H,12-13H2,1-7H3
InChIKeyQYHXYTXAXWQNID-UHFFFAOYSA-N
MW365.59 g/mol
LogP3.86
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol (PubChem CID 54253368) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol
PubChem CID54253368
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol
SMILESCC1CN(C(c2ccc(OC(C)[Si](C)(C)C)cc2)C(C)O)CC(C)O1
InChIInChI=1S/C20H35NO3Si/c1-14-12-21(13-15(2)23-14)20(16(3)22)18-8-10-19(11-9-18)24-17(4)25(5,6)7/h8-11,14-17,20,22H,12-13H2,1-7H3
InChIKeyQYHXYTXAXWQNID-UHFFFAOYSA-N
XLogP3.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol (CID 54253368) is 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol is CC1CN(C(c2ccc(OC(C)[Si](C)(C)C)cc2)C(C)O)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol?
The InChIKey is QYHXYTXAXWQNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-14-12-21(13-15(2)23-14)20(16(3)22)18-8-10-19(11-9-18)24-17(4)25(5,6)7/h8-11,14-17,20,22H,12-13H2,1-7H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol has a molecular weight of 365.59 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-1-[4-(1-trimethylsilylethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 54253368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).