(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol

C35H56O4Si2 — CID 11180922

About (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol

(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol (PubChem CID 11180922) has the molecular formula C35H56O4Si2 and a molecular weight of 597.00 g/mol. Its IUPAC name is (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
• PubChem CID: 11180922
• Molecular Formula: C35H56O4Si2
• Molecular Weight: 597.00 g/mol
• Exact Mass: 596.37
• IUPAC Name: (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
• SMILES: C=CC[C@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O
• InChI: InChI=1S/C35H56O4Si2/c1-11-18-32-34(36)33(39-40(26(2)3,27(4)5)28(6)7)25-29(38-32)23-24-37-41(35(8,9)10,30-19-14-12-15-20-30)31-21-16-13-17-22-31/h11-17,19-22,26-29,32-34,36H,1,18,23-25H2,2-10H3/t29-,32-,33-,34-/m1/s1
• InChIKey: ZRTAYJJONCWLGM-HHAIGBBTSA-N
• XLogP: 7.61
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.00
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol?

The IUPAC name of (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol (CID 11180922) is (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol.

What is the SMILES notation for (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol?

The canonical SMILES for (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol is C=CC[C@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O.

What is the InChIKey of (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol?

The InChIKey is ZRTAYJJONCWLGM-HHAIGBBTSA-N. The full InChI is InChI=1S/C35H56O4Si2/c1-11-18-32-34(36)33(39-40(26(2)3,27(4)5)28(6)7)25-29(38-32)23-24-37-41(35(8,9)10,30-19-14-12-15-20-30)31-21-16-13-17-22-31/h11-17,19-22,26-29,32-34,36H,1,18,23-25H2,2-10H3/t29-,32-,33-,34-/m1/s1.

What are the key properties of (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol?

(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol has a molecular weight of 597.00 g/mol, XLogP of 7.61, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol is sourced from PubChem (CID 11180922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).