3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one

C27H35NO3Si — CID 135023889

IUPAC3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C=C=CN1CCOC1=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H35NO3Si/c1-26(2,3)32(23-13-8-6-9-14-23,24-15-10-7-11-16-24)31-21-18-27(4,5)17-12-19-28-20-22-30-25(28)29/h6-11,13-17,19H,18,20-22H2,1-5H3
InChIKeyDFVFILICUXLLCT-UHFFFAOYSA-N
MW449.67 g/mol
LogP5.10
Rot. Bonds8

About 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one

3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one (PubChem CID 135023889) has the molecular formula C27H35NO3Si and a molecular weight of 449.67 g/mol. Its IUPAC name is 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
PubChem CID135023889
Molecular FormulaC27H35NO3Si
Molecular Weight449.67 g/mol
Exact Mass449.24
IUPAC Name3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C=C=CN1CCOC1=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H35NO3Si/c1-26(2,3)32(23-13-8-6-9-14-23,24-15-10-7-11-16-24)31-21-18-27(4,5)17-12-19-28-20-22-30-25(28)29/h6-11,13-17,19H,18,20-22H2,1-5H3
InChIKeyDFVFILICUXLLCT-UHFFFAOYSA-N
XLogP5.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4aS,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 73293002
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate
CID 122217414
(4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102197822
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutyl] 2-morpholin-4-ylethanesulfonate
CID 15946583
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
3-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-nitrophenyl]piperidin-4-yl]-1,3-oxazinan-2-one
CID 139271626
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
4-[tert-butyl(diphenyl)silyl]oxy-N,2,2-trimethylbutan-1-amine
CID 66997840
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
(4R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-phenylselanylbutan-2-yl]oxan-2-one
CID 24808080

Frequently Asked Questions

What is the IUPAC name of 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one (CID 135023889) is 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one is CC(C)(C=C=CN1CCOC1=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is DFVFILICUXLLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO3Si/c1-26(2,3)32(23-13-8-6-9-14-23,24-15-10-7-11-16-24)31-21-18-27(4,5)17-12-19-28-20-22-30-25(28)29/h6-11,13-17,19H,18,20-22H2,1-5H3.
What are the key properties of 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one?
3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 449.67 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135023889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).