5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one

C15H31NO3Si — CID 10709453

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one
SMILESCC(C)(CCC1CNC(=O)O1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NO3Si/c1-14(2,3)20(6,7)18-11-15(4,5)9-8-12-10-16-13(17)19-12/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyKYWSVVZXVRYGJT-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.92
Rot. Bonds6

About 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one

5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one (PubChem CID 10709453) has the molecular formula C15H31NO3Si and a molecular weight of 301.50 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one
PubChem CID10709453
Molecular FormulaC15H31NO3Si
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one
SMILESCC(C)(CCC1CNC(=O)O1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NO3Si/c1-14(2,3)20(6,7)18-11-15(4,5)9-8-12-10-16-13(17)19-12/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyKYWSVVZXVRYGJT-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one (CID 10709453) is 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one is CC(C)(CCC1CNC(=O)O1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one?
The InChIKey is KYWSVVZXVRYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3Si/c1-14(2,3)20(6,7)18-11-15(4,5)9-8-12-10-16-13(17)19-12/h12H,8-11H2,1-7H3,(H,16,17).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one?
5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one has a molecular weight of 301.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10709453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).