4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one

C25H49NO3Si — CID 73038813

IUPAC4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC=CC(O[Si](C)(C)C(C)(C)C)C1COC(=O)N1
InChIInChI=1S/C25H49NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(22-21-28-24(27)26-22)29-30(5,6)25(2,3)4/h19-20,22-23H,7-18,21H2,1-6H3,(H,26,27)
InChIKeyHKAGBWNBZRNXRA-UHFFFAOYSA-N
MW439.76 g/mol
LogP7.74
Rot. Bonds16

About 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one

4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 73038813) has the molecular formula C25H49NO3Si and a molecular weight of 439.76 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one
PubChem CID73038813
Molecular FormulaC25H49NO3Si
Molecular Weight439.76 g/mol
Exact Mass439.35
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC=CC(O[Si](C)(C)C(C)(C)C)C1COC(=O)N1
InChIInChI=1S/C25H49NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(22-21-28-24(27)26-22)29-30(5,6)25(2,3)4/h19-20,22-23H,7-18,21H2,1-6H3,(H,26,27)
InChIKeyHKAGBWNBZRNXRA-UHFFFAOYSA-N
XLogP7.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.76
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one (CID 73038813) is 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one is CCCCCCCCCCCCCC=CC(O[Si](C)(C)C(C)(C)C)C1COC(=O)N1.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is HKAGBWNBZRNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(22-21-28-24(27)26-22)29-30(5,6)25(2,3)4/h19-20,22-23H,7-18,21H2,1-6H3,(H,26,27).
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one?
4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 439.76 g/mol, XLogP of 7.74, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 73038813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).