tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane

C22H46O4Si2 — CID 10646324

About tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 10646324) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
• PubChem CID: 10646324
• Molecular Formula: C22H46O4Si2
• Molecular Weight: 430.78 g/mol
• Exact Mass: 430.29
• IUPAC Name: tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
• SMILES: CO[C@@H]1CC(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[Si](C)(C)C)C[C@@H](OC)O1
• InChI: InChI=1S/C22H46O4Si2/c1-17(12-13-27(7,8)9)19(26-28(10,11)22(2,3)4)14-18-15-20(23-5)25-21(16-18)24-6/h12-13,17-21H,14-16H2,1-11H3/b13-12+/t17-,19-,20+,21+/m1/s1
• InChIKey: WJSXVCKSRYDYAD-YJHWVGLKSA-N
• XLogP: 6.21
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.78
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane (CID 10646324) is tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane is CO[C@@H]1CC(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/[Si](C)(C)C)C[C@@H](OC)O1.

What is the InChIKey of tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane?

The InChIKey is WJSXVCKSRYDYAD-YJHWVGLKSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-17(12-13-27(7,8)9)19(26-28(10,11)22(2,3)4)14-18-15-20(23-5)25-21(16-18)24-6/h12-13,17-21H,14-16H2,1-11H3/b13-12+/t17-,19-,20+,21+/m1/s1.

What are the key properties of tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane?

tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 430.78 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E,2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10646324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).