methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate

C12H23NO4Si — CID 14774930

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate
SMILESCOC(=O)N1OCC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)18(5,6)17-10-8-7-9-16-13(10)11(14)15-4/h7-8,10H,9H2,1-6H3
InChIKeyLCWWBRHVPWBILM-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.90
Rot. Bonds2

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate (PubChem CID 14774930) has the molecular formula C12H23NO4Si and a molecular weight of 273.41 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate
PubChem CID14774930
Molecular FormulaC12H23NO4Si
Molecular Weight273.41 g/mol
Exact Mass273.14
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate
SMILESCOC(=O)N1OCC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)18(5,6)17-10-8-7-9-16-13(10)11(14)15-4/h7-8,10H,9H2,1-6H3
InChIKeyLCWWBRHVPWBILM-UHFFFAOYSA-N
XLogP2.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]dec-7-ene-3-carboxylate
CID 11014510
tert-butyl 6-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153326433
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
CID 11108372
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 66732037
1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 159074162
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
methyl 5H-1,2-oxazole-2-carboxylate
CID 67613581
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
CID 58766039
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
tert-butyl 3-phenyl-3,6-dihydrooxazine-2-carboxylate
CID 11207712

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate (CID 14774930) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate is COC(=O)N1OCC=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate?
The InChIKey is LCWWBRHVPWBILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-12(2,3)18(5,6)17-10-8-7-9-16-13(10)11(14)15-4/h7-8,10H,9H2,1-6H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate has a molecular weight of 273.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate is sourced from PubChem (CID 14774930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).