tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane

C60H63ClO7Si — CID 90073607

About tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane

tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane (PubChem CID 90073607) has the molecular formula C60H63ClO7Si and a molecular weight of 959.70 g/mol. Its IUPAC name is tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane
• PubChem CID: 90073607
• Molecular Formula: C60H63ClO7Si
• Molecular Weight: 959.70 g/mol
• Exact Mass: 958.40
• IUPAC Name: tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane
• SMILES: C=CCOc1cc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C60H63ClO7Si/c1-5-36-63-54-38-53(61)49(43-67-69(60(2,3)4,50-32-20-10-21-33-50)51-34-22-11-23-35-51)37-52(54)56-58(65-41-47-28-16-8-17-29-47)59(66-42-48-30-18-9-19-31-48)57(64-40-46-26-14-7-15-27-46)55(68-56)44-62-39-45-24-12-6-13-25-45/h5-35,37-38,55-59H,1,36,39-44H2,2-4H3/t55-,56-,57+,58?,59+/m1/s1
• InChIKey: NOGSAXWIFHANAM-MWGMEAGESA-N
• XLogP: 12.39
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.70
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane (CID 90073607) is tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane is C=CCOc1cc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane?

The InChIKey is NOGSAXWIFHANAM-MWGMEAGESA-N. The full InChI is InChI=1S/C60H63ClO7Si/c1-5-36-63-54-38-53(61)49(43-67-69(60(2,3)4,50-32-20-10-21-33-50)51-34-22-11-23-35-51)37-52(54)56-58(65-41-47-28-16-8-17-29-47)59(66-42-48-30-18-9-19-31-48)57(64-40-46-26-14-7-15-27-46)55(68-56)44-62-39-45-24-12-6-13-25-45/h5-35,37-38,55-59H,1,36,39-44H2,2-4H3/t55-,56-,57+,58?,59+/m1/s1.

What are the key properties of tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane?

tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane has a molecular weight of 959.70 g/mol, XLogP of 12.39, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane is sourced from PubChem (CID 90073607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).