[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane

C50H61ClO6Si — CID 77260001

About [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane

[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane (PubChem CID 77260001) has the molecular formula C50H61ClO6Si and a molecular weight of 821.57 g/mol. Its IUPAC name is [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane
• PubChem CID: 77260001
• Molecular Formula: C50H61ClO6Si
• Molecular Weight: 821.57 g/mol
• Exact Mass: 820.39
• IUPAC Name: [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](OCc1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)ccc1Cl)(C(C)C)C(C)C
• InChI: InChI=1S/C50H61ClO6Si/c1-36(2)58(37(3)4,38(5)6)56-34-44-29-43(27-28-45(44)51)47-49(54-32-41-23-15-9-16-24-41)50(55-33-42-25-17-10-18-26-42)48(53-31-40-21-13-8-14-22-40)46(57-47)35-52-30-39-19-11-7-12-20-39/h7-29,36-38,46-50H,30-35H2,1-6H3
• InChIKey: QQBOHRWTBLJRSM-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.57
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane?

The IUPAC name of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane (CID 77260001) is [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane.

What is the SMILES notation for [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane?

The canonical SMILES for [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)ccc1Cl)(C(C)C)C(C)C.

What is the InChIKey of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane?

The InChIKey is QQBOHRWTBLJRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H61ClO6Si/c1-36(2)58(37(3)4,38(5)6)56-34-44-29-43(27-28-45(44)51)47-49(54-32-41-23-15-9-16-24-41)50(55-33-42-25-17-10-18-26-42)48(53-31-40-21-13-8-14-22-40)46(57-47)35-52-30-39-19-11-7-12-20-39/h7-29,36-38,46-50H,30-35H2,1-6H3.

What are the key properties of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane?

[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane has a molecular weight of 821.57 g/mol, XLogP of 12.44, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 77260001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).