(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one

C23H37NO3Si — CID 132603924

IUPAC(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCC/C(C)=C(/O[Si](CC)(CC)CC)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H37NO3Si/c1-6-10-14-19(5)22(27-28(7-2,8-3)9-4)24-21(18-26-23(24)25)17-20-15-12-11-13-16-20/h11-13,15-16,21H,6-10,14,17-18H2,1-5H3/b22-19+/t21-/m0/s1
InChIKeyJHHXEKGLKBGFNQ-PGVNHDJNSA-N
MW403.64 g/mol
LogP6.49
Rot. Bonds11

About (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 132603924) has the molecular formula C23H37NO3Si and a molecular weight of 403.64 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one
PubChem CID132603924
Molecular FormulaC23H37NO3Si
Molecular Weight403.64 g/mol
Exact Mass403.25
IUPAC Name(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCC/C(C)=C(/O[Si](CC)(CC)CC)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H37NO3Si/c1-6-10-14-19(5)22(27-28(7-2,8-3)9-4)24-21(18-26-23(24)25)17-20-15-12-11-13-16-20/h11-13,15-16,21H,6-10,14,17-18H2,1-5H3/b22-19+/t21-/m0/s1
InChIKeyJHHXEKGLKBGFNQ-PGVNHDJNSA-N
XLogP6.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one (CID 132603924) is (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one is CCCC/C(C)=C(/O[Si](CC)(CC)CC)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is JHHXEKGLKBGFNQ-PGVNHDJNSA-N. The full InChI is InChI=1S/C23H37NO3Si/c1-6-10-14-19(5)22(27-28(7-2,8-3)9-4)24-21(18-26-23(24)25)17-20-15-12-11-13-16-20/h11-13,15-16,21H,6-10,14,17-18H2,1-5H3/b22-19+/t21-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 403.64 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 132603924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).