[6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone

C17H25NO3Si — CID 14774923

IUPAC[6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone
SMILESCC(C)(C)[Si](C)(C)OC1C=CCN(C(=O)c2ccccc2)O1
InChIInChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-15-12-9-13-18(20-15)16(19)14-10-7-6-8-11-14/h6-12,15H,13H2,1-5H3
InChIKeyKPUNVEVWHKISMP-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.98
Rot. Bonds3

About [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone

[6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone (PubChem CID 14774923) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone
PubChem CID14774923
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone
SMILESCC(C)(C)[Si](C)(C)OC1C=CCN(C(=O)c2ccccc2)O1
InChIInChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-15-12-9-13-18(20-15)16(19)14-10-7-6-8-11-14/h6-12,15H,13H2,1-5H3
InChIKeyKPUNVEVWHKISMP-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone (CID 14774923) is [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone is CC(C)(C)[Si](C)(C)OC1C=CCN(C(=O)c2ccccc2)O1.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone?
The InChIKey is KPUNVEVWHKISMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-15-12-9-13-18(20-15)16(19)14-10-7-6-8-11-14/h6-12,15H,13H2,1-5H3.
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone?
[6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone has a molecular weight of 319.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazin-2-yl]-phenylmethanone is sourced from PubChem (CID 14774923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).