tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane

C20H31NO2Si — CID 11233266

IUPACtert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC#CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H31NO2Si/c1-20(2,3)24(4,5)23-15-9-12-19(18-10-7-6-8-11-18)21-13-16-22-17-14-21/h6-8,10-11,19H,13-17H2,1-5H3
InChIKeyRDKSPYVJXCENCS-UHFFFAOYSA-N
MW345.56 g/mol
LogP4.09
Rot. Bonds4

About tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane

tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane (PubChem CID 11233266) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane
PubChem CID11233266
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Nametert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC#CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H31NO2Si/c1-20(2,3)24(4,5)23-15-9-12-19(18-10-7-6-8-11-18)21-13-16-22-17-14-21/h6-8,10-11,19H,13-17H2,1-5H3
InChIKeyRDKSPYVJXCENCS-UHFFFAOYSA-N
XLogP4.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2-Diphenylethyl)morpholine
CID 281037
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372
4-(1-Phenylethyl)morpholine--hydrogen chloride (1/1)
CID 3057369
4-Benzyl-4-methylmorpholin-4-ium
CID 16205156
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
Morpholine, 4-(1-phenylethyl)-
CID 600557
4-(1-Phenylpropyl)morpholine--hydrogen chloride (1/1)
CID 3057367
Trimethyl-[4-(2-methyl-3-morpholin-4-ylpropyl)phenyl]silane
CID 127036602
Morpholine, 4-(1,3-diphenyl-2-propynyl)-
CID 3773039
4-[2-[4-(2-Methoxyethyl)piperazin-1-yl]-2-phenylethyl]morpholine
CID 51000970
4-(1-Phenylpropyl)morpholine
CID 3057368
4-[1-(2-Fluorophenyl)-3-phenylprop-2-ynyl]morpholine
CID 12101504

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane (CID 11233266) is tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane is CC(C)(C)[Si](C)(C)OCC#CC(c1ccccc1)N1CCOCC1.
What is the InChIKey of tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane?
The InChIKey is RDKSPYVJXCENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-20(2,3)24(4,5)23-15-9-12-19(18-10-7-6-8-11-18)21-13-16-22-17-14-21/h6-8,10-11,19H,13-17H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane?
tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane has a molecular weight of 345.56 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane is sourced from PubChem (CID 11233266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).