(2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol

C37H82O6Si4 — CID 25105534

About (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol

(2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol (PubChem CID 25105534) has the molecular formula C37H82O6Si4 and a molecular weight of 735.40 g/mol. Its IUPAC name is (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol.

Molecular Properties

• Compound Name: (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol
• PubChem CID: 25105534
• Molecular Formula: C37H82O6Si4
• Molecular Weight: 735.40 g/mol
• Exact Mass: 734.52
• IUPAC Name: (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol
• SMILES: CC[Si](CC)(CC)O[C@@H](C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)CO)C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C37H82O6Si4/c1-19-46(20-2,21-3)43-35(26-34(28-38)22-23-41-47(30(4)5,31(6)7)32(8)9)27-36(40-29-39-24-25-44(14,15)16)33(10)42-45(17,18)37(11,12)13/h22,30-33,35-36,38H,19-21,23-29H2,1-18H3/b34-22+/t33-,35+,36-/m1/s1
• InChIKey: HMFFXWTUMZTIJE-VZOQXYQWSA-N
• XLogP: 11.38
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.40
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol?

The IUPAC name of (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol (CID 25105534) is (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol.

What is the SMILES notation for (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol?

The canonical SMILES for (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol is CC[Si](CC)(CC)O[C@@H](C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)CO)C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol?

The InChIKey is HMFFXWTUMZTIJE-VZOQXYQWSA-N. The full InChI is InChI=1S/C37H82O6Si4/c1-19-46(20-2,21-3)43-35(26-34(28-38)22-23-41-47(30(4)5,31(6)7)32(8)9)27-36(40-29-39-24-25-44(14,15)16)33(10)42-45(17,18)37(11,12)13/h22,30-33,35-36,38H,19-21,23-29H2,1-18H3/b34-22+/t33-,35+,36-/m1/s1.

What are the key properties of (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol?

(2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol has a molecular weight of 735.40 g/mol, XLogP of 11.38, 25 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-6-(2-trimethylsilylethoxymethoxy)-2-[2-tri(propan-2-yl)silyloxyethylidene]octan-1-ol is sourced from PubChem (CID 25105534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).