tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane

C31H62O4Si2 — CID 53329190

About tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane

tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane (PubChem CID 53329190) has the molecular formula C31H62O4Si2 and a molecular weight of 555.01 g/mol. Its IUPAC name is tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane
• PubChem CID: 53329190
• Molecular Formula: C31H62O4Si2
• Molecular Weight: 555.01 g/mol
• Exact Mass: 554.42
• IUPAC Name: tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane
• SMILES: C/C(=C/COC1CCCCO1)C/C(C)=C/[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C31H62O4Si2/c1-24(18-20-33-29-17-15-16-19-32-29)21-25(2)22-26(3)28(35-37(13,14)31(8,9)10)23-27(4)34-36(11,12)30(5,6)7/h18,22,26-29H,15-17,19-21,23H2,1-14H3/b24-18-,25-22+/t26-,27-,28-,29?/m1/s1
• InChIKey: ZLMLGOPROWOSCV-VQJRICHASA-N
• XLogP: 9.64
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.01
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane (CID 53329190) is tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane is C/C(=C/COC1CCCCO1)C/C(C)=C/[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane?

The InChIKey is ZLMLGOPROWOSCV-VQJRICHASA-N. The full InChI is InChI=1S/C31H62O4Si2/c1-24(18-20-33-29-17-15-16-19-32-29)21-25(2)22-26(3)28(35-37(13,14)31(8,9)10)23-27(4)34-36(11,12)30(5,6)7/h18,22,26-29H,15-17,19-21,23H2,1-14H3/b24-18-,25-22+/t26-,27-,28-,29?/m1/s1.

What are the key properties of tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane?

tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane has a molecular weight of 555.01 g/mol, XLogP of 9.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 53329190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).