(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol

C20H44O4Si2 — CID 11784470

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol

(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol (PubChem CID 11784470) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol.

Molecular Properties

• Compound Name: (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
• PubChem CID: 11784470
• Molecular Formula: C20H44O4Si2
• Molecular Weight: 404.74 g/mol
• Exact Mass: 404.28
• IUPAC Name: (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
• SMILES: C=C[C@H](OCOCC[Si](C)(C)C)[C@@H](O)C(C)(C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H44O4Si2/c1-12-17(23-16-22-13-14-25(7,8)9)18(21)20(5,6)15-24-26(10,11)19(2,3)4/h12,17-18,21H,1,13-16H2,2-11H3/t17-,18+/m0/s1
• InChIKey: HOAVPSDJRKXZCQ-ZWKOTPCHSA-N
• XLogP: 5.28
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.74
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?

The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol (CID 11784470) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol.

What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?

The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol is C=C[C@H](OCOCC[Si](C)(C)C)[C@@H](O)C(C)(C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?

The InChIKey is HOAVPSDJRKXZCQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-12-17(23-16-22-13-14-25(7,8)9)18(21)20(5,6)15-24-26(10,11)19(2,3)4/h12,17-18,21H,1,13-16H2,2-11H3/t17-,18+/m0/s1.

What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?

(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol has a molecular weight of 404.74 g/mol, XLogP of 5.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol is sourced from PubChem (CID 11784470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).