[(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane

C19H42F2O5Si4 — CID 14481154

About [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane

[(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane (PubChem CID 14481154) has the molecular formula C19H42F2O5Si4 and a molecular weight of 500.88 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane
• PubChem CID: 14481154
• Molecular Formula: C19H42F2O5Si4
• Molecular Weight: 500.88 g/mol
• Exact Mass: 500.21
• IUPAC Name: [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane
• SMILES: C[Si](C)(C)OC[C@H]1OC(=C(F)F)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
• InChI: InChI=1S/C19H42F2O5Si4/c1-27(2,3)22-13-14-15(24-28(4,5)6)16(25-29(7,8)9)17(26-30(10,11)12)18(23-14)19(20)21/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
• InChIKey: LZSUTVJCXFISMI-WCXIOVBPSA-N
• XLogP: 6.01
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.88
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane?

The IUPAC name of [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane (CID 14481154) is [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane.

What is the SMILES notation for [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane?

The canonical SMILES for [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane is C[Si](C)(C)OC[C@H]1OC(=C(F)F)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.

What is the InChIKey of [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane?

The InChIKey is LZSUTVJCXFISMI-WCXIOVBPSA-N. The full InChI is InChI=1S/C19H42F2O5Si4/c1-27(2,3)22-13-14-15(24-28(4,5)6)16(25-29(7,8)9)17(26-30(10,11)12)18(23-14)19(20)21/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1.

What are the key properties of [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane?

[(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane has a molecular weight of 500.88 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R)-6-(difluoromethylidene)-4,5-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 14481154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).