tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane

C19H32NO2Si+ — CID 11465844

IUPACtert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane
SMILESCC1=[N+](O[Si](C)(C)C(C)(C)C)OC(C)(C)CC1c1ccccc1
InChIInChI=1S/C19H32NO2Si/c1-15-17(16-12-10-9-11-13-16)14-19(5,6)21-20(15)22-23(7,8)18(2,3)4/h9-13,17H,14H2,1-8H3/q+1
InChIKeyCOLVPQGURUKSPP-UHFFFAOYSA-N
MW334.56 g/mol
LogP5.29
Rot. Bonds3

About tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane

tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane (PubChem CID 11465844) has the molecular formula C19H32NO2Si+ and a molecular weight of 334.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane
PubChem CID11465844
Molecular FormulaC19H32NO2Si+
Molecular Weight334.56 g/mol
Exact Mass334.22
IUPAC Nametert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane
SMILESCC1=[N+](O[Si](C)(C)C(C)(C)C)OC(C)(C)CC1c1ccccc1
InChIInChI=1S/C19H32NO2Si/c1-15-17(16-12-10-9-11-13-16)14-19(5,6)21-20(15)22-23(7,8)18(2,3)4/h9-13,17H,14H2,1-8H3/q+1
InChIKeyCOLVPQGURUKSPP-UHFFFAOYSA-N
XLogP5.29
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.56
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane with MolForge

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Related Compounds

tert-butyl-[(6,6-dimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]-dimethylsilane;trifluoromethanesulfonate
CID 11397241
tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane
CID 101214228
3-(iodomethyl)-6,6-dimethyl-2-oxido-4-phenyl-4,5-dihydrooxazin-2-ium
CID 101497519
tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane
CID 11371520
tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane
CID 15517186
tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
CID 11392094
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
CID 12061237
tert-butyl-[(3S,4R)-2,2-dimethyl-3-methylsulfanyl-4-phenyloxetan-3-yl]oxy-dimethylsilane
CID 101051271
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
(2R,6S,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenyl-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10577331
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
CID 11207486

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane (CID 11465844) is tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane is CC1=[N+](O[Si](C)(C)C(C)(C)C)OC(C)(C)CC1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane?
The InChIKey is COLVPQGURUKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO2Si/c1-15-17(16-12-10-9-11-13-16)14-19(5,6)21-20(15)22-23(7,8)18(2,3)4/h9-13,17H,14H2,1-8H3/q+1.
What are the key properties of tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane?
tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane has a molecular weight of 334.56 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane is sourced from PubChem (CID 11465844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).