tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane

C35H46O4Si — CID 102397237

About tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane

tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane (PubChem CID 102397237) has the molecular formula C35H46O4Si and a molecular weight of 558.84 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane
• PubChem CID: 102397237
• Molecular Formula: C35H46O4Si
• Molecular Weight: 558.84 g/mol
• Exact Mass: 558.32
• IUPAC Name: tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane
• SMILES: C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC[C@]2(CC[C@@H](COCc3ccccc3)O2)O1
• InChI: InChI=1S/C35H46O4Si/c1-28(25-37-40(34(2,3)4,31-17-10-6-11-18-31)32-19-12-7-13-20-32)33-21-14-23-35(39-33)24-22-30(38-35)27-36-26-29-15-8-5-9-16-29/h5-13,15-20,28,30,33H,14,21-27H2,1-4H3/t28-,30-,33-,35+/m0/s1
• InChIKey: SDVQGIACLFJCQX-JPNFFBNVSA-N
• XLogP: 6.86
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.84
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane?

The IUPAC name of tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane (CID 102397237) is tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane.

What is the SMILES notation for tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane?

The canonical SMILES for tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC[C@]2(CC[C@@H](COCc3ccccc3)O2)O1.

What is the InChIKey of tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane?

The InChIKey is SDVQGIACLFJCQX-JPNFFBNVSA-N. The full InChI is InChI=1S/C35H46O4Si/c1-28(25-37-40(34(2,3)4,31-17-10-6-11-18-31)32-19-12-7-13-20-32)33-21-14-23-35(39-33)24-22-30(38-35)27-36-26-29-15-8-5-9-16-29/h5-13,15-20,28,30,33H,14,21-27H2,1-4H3/t28-,30-,33-,35+/m0/s1.

What are the key properties of tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane?

tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane has a molecular weight of 558.84 g/mol, XLogP of 6.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-diphenyl-[(2S)-2-[(2S,5S,7S)-2-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-7-yl]propoxy]silane is sourced from PubChem (CID 102397237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).