[(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane

C32H66O3Si3 — CID 138984958

About [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane

[(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane (PubChem CID 138984958) has the molecular formula C32H66O3Si3 and a molecular weight of 583.14 g/mol. Its IUPAC name is [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane
• PubChem CID: 138984958
• Molecular Formula: C32H66O3Si3
• Molecular Weight: 583.14 g/mol
• Exact Mass: 582.43
• IUPAC Name: [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane
• SMILES: C/C=C(C)/C=C/C=C(\C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H66O3Si3/c1-19-26(2)21-20-22-27(3)23-24-28(34-37(15,16)31(7,8)9)29(35-38(17,18)32(10,11)12)25-33-36(13,14)30(4,5)6/h19-22,28-29H,23-25H2,1-18H3/b21-20+,26-19+,27-22+/t28-,29+/m1/s1
• InChIKey: WNXNTRZEWDXFOL-REMSVTBNSA-N
• XLogP: 11.04
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.14
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane (CID 138984958) is [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane is C/C=C(C)/C=C/C=C(\C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane?

The InChIKey is WNXNTRZEWDXFOL-REMSVTBNSA-N. The full InChI is InChI=1S/C32H66O3Si3/c1-19-26(2)21-20-22-27(3)23-24-28(34-37(15,16)31(7,8)9)29(35-38(17,18)32(10,11)12)25-33-36(13,14)30(4,5)6/h19-22,28-29H,23-25H2,1-18H3/b21-20+,26-19+,27-22+/t28-,29+/m1/s1.

What are the key properties of [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane?

[(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane has a molecular weight of 583.14 g/mol, XLogP of 11.04, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 138984958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).