(E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione

C35H54O4Si2 — CID 71480533

About (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione

(E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione (PubChem CID 71480533) has the molecular formula C35H54O4Si2 and a molecular weight of 594.99 g/mol. Its IUPAC name is (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione.

Molecular Properties

• Compound Name: (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione
• PubChem CID: 71480533
• Molecular Formula: C35H54O4Si2
• Molecular Weight: 594.99 g/mol
• Exact Mass: 594.36
• IUPAC Name: (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione
• SMILES: CC(=O)/C=C/C[C@H](CC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C35H54O4Si2/c1-27(2)40(28(3)4,29(5)6)39-32(19-17-18-30(7)36)26-31(37)24-25-38-41(35(8,9)10,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-18,20-23,27-29,32H,19,24-26H2,1-10H3/b18-17+/t32-/m1/s1
• InChIKey: ZLBQOFUTZTZVBH-MKFZFTIWSA-N
• XLogP: 8.01
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.99
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione?

The IUPAC name of (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione (CID 71480533) is (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione.

What is the SMILES notation for (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione?

The canonical SMILES for (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione is CC(=O)/C=C/C[C@H](CC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione?

The InChIKey is ZLBQOFUTZTZVBH-MKFZFTIWSA-N. The full InChI is InChI=1S/C35H54O4Si2/c1-27(2)40(28(3)4,29(5)6)39-32(19-17-18-30(7)36)26-31(37)24-25-38-41(35(8,9)10,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-18,20-23,27-29,32H,19,24-26H2,1-10H3/b18-17+/t32-/m1/s1.

What are the key properties of (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione?

(E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione has a molecular weight of 594.99 g/mol, XLogP of 8.01, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione is sourced from PubChem (CID 71480533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).