3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one

C25H49NO3Si2 — CID 177403901

IUPAC3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one
SMILESC/C(=C\CCCCC=C(O[Si](C(C)C)(C(C)C)C(C)C)N1CCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C25H49NO3Si2/c1-20(2)31(21(3)4,22(5)6)29-24(26-17-18-28-25(26)27)16-14-12-11-13-15-23(7)19-30(8,9)10/h15-16,20-22H,11-14,17-19H2,1-10H3/b23-15+,24-16?
InChIKeyBFYMYIUSFNWDSD-SBDYRPBBSA-N
MW467.84 g/mol
LogP8.32
Rot. Bonds13

About 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one

3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one (PubChem CID 177403901) has the molecular formula C25H49NO3Si2 and a molecular weight of 467.84 g/mol. Its IUPAC name is 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one
PubChem CID177403901
Molecular FormulaC25H49NO3Si2
Molecular Weight467.84 g/mol
Exact Mass467.33
IUPAC Name3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one
SMILESC/C(=C\CCCCC=C(O[Si](C(C)C)(C(C)C)C(C)C)N1CCOC1=O)C[Si](C)(C)C
InChIInChI=1S/C25H49NO3Si2/c1-20(2)31(21(3)4,22(5)6)29-24(26-17-18-28-25(26)27)16-14-12-11-13-15-23(7)19-30(8,9)10/h15-16,20-22H,11-14,17-19H2,1-10H3/b23-15+,24-16?
InChIKeyBFYMYIUSFNWDSD-SBDYRPBBSA-N
XLogP8.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.84
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one (CID 177403901) is 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one is C/C(=C\CCCCC=C(O[Si](C(C)C)(C(C)C)C(C)C)N1CCOC1=O)C[Si](C)(C)C.
What is the InChIKey of 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is BFYMYIUSFNWDSD-SBDYRPBBSA-N. The full InChI is InChI=1S/C25H49NO3Si2/c1-20(2)31(21(3)4,22(5)6)29-24(26-17-18-28-25(26)27)16-14-12-11-13-15-23(7)19-30(8,9)10/h15-16,20-22H,11-14,17-19H2,1-10H3/b23-15+,24-16?.
What are the key properties of 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one?
3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 467.84 g/mol, XLogP of 8.32, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7E)-8-methyl-9-trimethylsilyl-1-tri(propan-2-yl)silyloxynona-1,7-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177403901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).