(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one

C25H49NO3Si — CID 69379187

IUPAC(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC=C[C@H]1OC(=O)N[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H49NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22(26-24(27)29-23)21-28-30(5,6)25(2,3)4/h19-20,22-23H,7-18,21H2,1-6H3,(H,26,27)/t22-,23+/m0/s1
InChIKeyZLPGOPLEMVKKAA-XZOQPEGZSA-N
MW439.76 g/mol
LogP7.74
Rot. Bonds16

About (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one

(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one (PubChem CID 69379187) has the molecular formula C25H49NO3Si and a molecular weight of 439.76 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one
PubChem CID69379187
Molecular FormulaC25H49NO3Si
Molecular Weight439.76 g/mol
Exact Mass439.35
IUPAC Name(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC=C[C@H]1OC(=O)N[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H49NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22(26-24(27)29-23)21-28-30(5,6)25(2,3)4/h19-20,22-23H,7-18,21H2,1-6H3,(H,26,27)/t22-,23+/m0/s1
InChIKeyZLPGOPLEMVKKAA-XZOQPEGZSA-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 (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one (CID 69379187) is (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCC=C[C@H]1OC(=O)N[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
The InChIKey is ZLPGOPLEMVKKAA-XZOQPEGZSA-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(26-24(27)29-23)21-28-30(5,6)25(2,3)4/h19-20,22-23H,7-18,21H2,1-6H3,(H,26,27)/t22-,23+/m0/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-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 (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69379187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).