3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione

C26H33NO4Si — CID 10623485

IUPAC3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione
SMILESC=CC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)COC1=O
InChIInChI=1S/C26H33NO4Si/c1-5-13-21(27-24(28)20-30-25(27)29)14-12-19-31-32(26(2,3)4,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h5-11,15-18,21H,1,12-14,19-20H2,2-4H3/t21-/m0/s1
InChIKeyYUHOFELWMLKGLN-NRFANRHFSA-N
MW451.64 g/mol
LogP4.27
Rot. Bonds10

About 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione

3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 10623485) has the molecular formula C26H33NO4Si and a molecular weight of 451.64 g/mol. Its IUPAC name is 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID10623485
Molecular FormulaC26H33NO4Si
Molecular Weight451.64 g/mol
Exact Mass451.22
IUPAC Name3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione
SMILESC=CC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)COC1=O
InChIInChI=1S/C26H33NO4Si/c1-5-13-21(27-24(28)20-30-25(27)29)14-12-19-31-32(26(2,3)4,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h5-11,15-18,21H,1,12-14,19-20H2,2-4H3/t21-/m0/s1
InChIKeyYUHOFELWMLKGLN-NRFANRHFSA-N
XLogP4.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione (CID 10623485) is 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione is C=CC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)COC1=O.
What is the InChIKey of 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is YUHOFELWMLKGLN-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33NO4Si/c1-5-13-21(27-24(28)20-30-25(27)29)14-12-19-31-32(26(2,3)4,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h5-11,15-18,21H,1,12-14,19-20H2,2-4H3/t21-/m0/s1.
What are the key properties of 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione?
3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 451.64 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 10623485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).