(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one

C28H36O3Si — CID 11374293

IUPAC(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
SMILESCC/C=C/C/C=C\C[C@H]1OC(=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36O3Si/c1-5-6-7-8-9-16-21-25-26(22-27(29)30-25)31-32(28(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h6-7,9-20,25-26H,5,8,21-22H2,1-4H3/b7-6+,16-9-/t25-,26-/m1/s1
InChIKeyGZVFENXLWDDTOY-FFVYWFHNSA-N
MW448.68 g/mol
LogP5.55
Rot. Bonds9

About (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one

(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one (PubChem CID 11374293) has the molecular formula C28H36O3Si and a molecular weight of 448.68 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
PubChem CID11374293
Molecular FormulaC28H36O3Si
Molecular Weight448.68 g/mol
Exact Mass448.24
IUPAC Name(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
SMILESCC/C=C/C/C=C\C[C@H]1OC(=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36O3Si/c1-5-6-7-8-9-16-21-25-26(22-27(29)30-25)31-32(28(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h6-7,9-20,25-26H,5,8,21-22H2,1-4H3/b7-6+,16-9-/t25-,26-/m1/s1
InChIKeyGZVFENXLWDDTOY-FFVYWFHNSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.68
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one (CID 11374293) is (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one is CC/C=C/C/C=C\C[C@H]1OC(=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one?
The InChIKey is GZVFENXLWDDTOY-FFVYWFHNSA-N. The full InChI is InChI=1S/C28H36O3Si/c1-5-6-7-8-9-16-21-25-26(22-27(29)30-25)31-32(28(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h6-7,9-20,25-26H,5,8,21-22H2,1-4H3/b7-6+,16-9-/t25-,26-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one?
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one has a molecular weight of 448.68 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one is sourced from PubChem (CID 11374293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).