tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C22H44O3Si — CID 11269140

About tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11269140) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
• PubChem CID: 11269140
• Molecular Formula: C22H44O3Si
• Molecular Weight: 384.68 g/mol
• Exact Mass: 384.31
• IUPAC Name: tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
• SMILES: C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H44O3Si/c1-12-16(2)13-17(3)14-18(4)20-19(24-22(8,9)25-20)15-23-26(10,11)21(5,6)7/h12,17-20H,13-15H2,1-11H3/b16-12+/t17-,18-,19+,20+/m0/s1
• InChIKey: BYVKYMIOUHASFS-DSUBFKPQSA-N
• XLogP: 6.55
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.68
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 11269140) is tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

The InChIKey is BYVKYMIOUHASFS-DSUBFKPQSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-12-16(2)13-17(3)14-18(4)20-19(24-22(8,9)25-20)15-23-26(10,11)21(5,6)7/h12,17-20H,13-15H2,1-11H3/b16-12+/t17-,18-,19+,20+/m0/s1.

What are the key properties of tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?

tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 384.68 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11269140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).