tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane

C37H51ClO10Si — CID 67417361

About tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane

tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane (PubChem CID 67417361) has the molecular formula C37H51ClO10Si and a molecular weight of 719.34 g/mol. Its IUPAC name is tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane
• PubChem CID: 67417361
• Molecular Formula: C37H51ClO10Si
• Molecular Weight: 719.34 g/mol
• Exact Mass: 718.29
• IUPAC Name: tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane
• SMILES: COCOCC1O[C@@H](c2ccc(Cl)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)C(OCOC)[C@@H](OCOC)[C@@H]1OCOC
• InChI: InChI=1S/C37H51ClO10Si/c1-37(2,3)49(29-14-10-8-11-15-29,30-16-12-9-13-17-30)47-21-28-20-27(18-19-31(28)38)33-35(45-25-41-6)36(46-26-42-7)34(44-24-40-5)32(48-33)22-43-23-39-4/h8-20,32-36H,21-26H2,1-7H3/t32?,33-,34+,35?,36-/m0/s1
• InChIKey: DQOUIBCYAUMPKQ-AITPOUKCSA-N
• XLogP: 5.44
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.34
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane (CID 67417361) is tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane.

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

The canonical SMILES for tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane is COCOCC1O[C@@H](c2ccc(Cl)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)C(OCOC)[C@@H](OCOC)[C@@H]1OCOC.

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

The InChIKey is DQOUIBCYAUMPKQ-AITPOUKCSA-N. The full InChI is InChI=1S/C37H51ClO10Si/c1-37(2,3)49(29-14-10-8-11-15-29,30-16-12-9-13-17-30)47-21-28-20-27(18-19-31(28)38)33-35(45-25-41-6)36(46-26-42-7)34(44-24-40-5)32(48-33)22-43-23-39-4/h8-20,32-36H,21-26H2,1-7H3/t32?,33-,34+,35?,36-/m0/s1.

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

tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane has a molecular weight of 719.34 g/mol, XLogP of 5.44, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane is sourced from PubChem (CID 67417361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).