tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate

C22H35NO4Si — CID 11603844

IUPACtert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1O[C@@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1c1ccccc1
InChIInChI=1S/C22H35NO4Si/c1-21(2,3)26-20(24)23-19(17-12-10-9-11-13-17)15-14-18(27-23)16-25-28(7,8)22(4,5)6/h9-15,18-19H,16H2,1-8H3/t18-,19+/m1/s1
InChIKeyJZRZNOHTWGOVDY-MOPGFXCFSA-N
MW405.61 g/mol
LogP5.86
Rot. Bonds4

About tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate

tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate (PubChem CID 11603844) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate
PubChem CID11603844
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Nametert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1O[C@@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1c1ccccc1
InChIInChI=1S/C22H35NO4Si/c1-21(2,3)26-20(24)23-19(17-12-10-9-11-13-17)15-14-18(27-23)16-25-28(7,8)22(4,5)6/h9-15,18-19H,16H2,1-8H3/t18-,19+/m1/s1
InChIKeyJZRZNOHTWGOVDY-MOPGFXCFSA-N
XLogP5.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.86
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 N-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)but-2-enyl]carbamate
CID 134954247
tert-butyl (3R,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenyl-3,6-dihydrooxazine-2-carboxylate
CID 11509684
tert-butyl N-[(Z,1S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-phenylpent-2-enyl]carbamate
CID 11711218
tert-butyl (3R,6S)-3,5-dimethyl-6-phenyl-4-(trimethylsilylmethyl)-3,6-dihydrooxazine-2-carboxylate
CID 135009702
tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 68541142
tert-butyl (2S,3R)-1-oxido-2-phenyl-3-triethylsilyloxyazetidin-1-ium-1-carboxylate
CID 88402311
methyl N-[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpent-2-enyl]carbamate
CID 10904217
Tert-butyl 3-phenyl-3,6-dihydrooxazine-2-carboxylate
CID 11207712
tert-butyl N-(1-phenylprop-2-enyl)-N-prop-2-enoxycarbamate
CID 11312302
N-benzyl-N-[(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-yl]oxy-2-methylprop-2-enamide
CID 11315994
tert-butyl N-benzyl-N-[(2R,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-en-2-yl]carbamate
CID 11376273
tert-butyl N-benzyl-N-[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-1-en-3-yl]carbamate
CID 12190082

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate?
The IUPAC name of tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate (CID 11603844) is tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate.
What is the SMILES notation for tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate?
The canonical SMILES for tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate is CC(C)(C)OC(=O)N1O[C@@H](CO[Si](C)(C)C(C)(C)C)C=C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate?
The InChIKey is JZRZNOHTWGOVDY-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-21(2,3)26-20(24)23-19(17-12-10-9-11-13-17)15-14-18(27-23)16-25-28(7,8)22(4,5)6/h9-15,18-19H,16H2,1-8H3/t18-,19+/m1/s1.
What are the key properties of tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate?
tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate has a molecular weight of 405.61 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate is sourced from PubChem (CID 11603844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).