[(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

C27H56O5Si3 — CID 25136403

About [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 25136403) has the molecular formula C27H56O5Si3 and a molecular weight of 545.00 g/mol. Its IUPAC name is [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 25136403
• Molecular Formula: C27H56O5Si3
• Molecular Weight: 545.00 g/mol
• Exact Mass: 544.34
• IUPAC Name: [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: C=C=CO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C27H56O5Si3/c1-17-18-28-23-19-21(31-34(13,14)26(5,6)7)24(32-35(15,16)27(8,9)10)22(30-23)20-29-33(11,12)25(2,3)4/h18,21-24H,1,19-20H2,2-16H3/t21-,22-,23+,24-/m1/s1
• InChIKey: BOKFEBHFHABIPC-JLLPCOHGSA-N
• XLogP: 8.22
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.00
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 25136403) is [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is C=C=CO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is BOKFEBHFHABIPC-JLLPCOHGSA-N. The full InChI is InChI=1S/C27H56O5Si3/c1-17-18-28-23-19-21(31-34(13,14)26(5,6)7)24(32-35(15,16)27(8,9)10)22(30-23)20-29-33(11,12)25(2,3)4/h18,21-24H,1,19-20H2,2-16H3/t21-,22-,23+,24-/m1/s1.

What are the key properties of [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?

[(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 545.00 g/mol, XLogP of 8.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 25136403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).