tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane

C30H44O6S2Si — CID 11072028

About tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane

tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane (PubChem CID 11072028) has the molecular formula C30H44O6S2Si and a molecular weight of 592.90 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
• PubChem CID: 11072028
• Molecular Formula: C30H44O6S2Si
• Molecular Weight: 592.90 g/mol
• Exact Mass: 592.23
• IUPAC Name: tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
• SMILES: COCO[C@H]1CCC2(O[C@H]1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)SCCCS2
• InChI: InChI=1S/C30H44O6S2Si/c1-29(2,3)39(24-13-8-6-9-14-24,25-15-10-7-11-16-25)35-21-27(34-23-32-5)28-26(33-22-31-4)17-18-30(36-28)37-19-12-20-38-30/h6-11,13-16,26-28H,12,17-23H2,1-5H3/t26-,27+,28+/m0/s1
• InChIKey: WHNHYESSJJHVDT-UPRLRBBYSA-N
• XLogP: 5.24
• TPSA: 55.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.90
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane (CID 11072028) is tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane is COCO[C@H]1CCC2(O[C@H]1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)SCCCS2.

What is the InChIKey of tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

The InChIKey is WHNHYESSJJHVDT-UPRLRBBYSA-N. The full InChI is InChI=1S/C30H44O6S2Si/c1-29(2,3)39(24-13-8-6-9-14-24,25-15-10-7-11-16-25)35-21-27(34-23-32-5)28-26(33-22-31-4)17-18-30(36-28)37-19-12-20-38-30/h6-11,13-16,26-28H,12,17-23H2,1-5H3/t26-,27+,28+/m0/s1.

What are the key properties of tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane has a molecular weight of 592.90 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R)-2-(methoxymethoxy)-2-[(8R,9S)-9-(methoxymethoxy)-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11072028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).