(2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol

C33H50O4S2Si — CID 11261950

About (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol

(2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol (PubChem CID 11261950) has the molecular formula C33H50O4S2Si and a molecular weight of 602.98 g/mol. Its IUPAC name is (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol
• PubChem CID: 11261950
• Molecular Formula: C33H50O4S2Si
• Molecular Weight: 602.98 g/mol
• Exact Mass: 602.29
• IUPAC Name: (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol
• SMILES: CC1(C)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C[C@H](O)C(C)(C)C2SCCCS2)O1
• InChI: InChI=1S/C33H50O4S2Si/c1-31(2,3)40(27-15-10-8-11-16-27,28-17-12-9-13-18-28)35-20-19-25-23-26(37-33(6,7)36-25)24-29(34)32(4,5)30-38-21-14-22-39-30/h8-13,15-18,25-26,29-30,34H,14,19-24H2,1-7H3/t25-,26-,29+/m1/s1
• InChIKey: URYRIYQPXPLHNK-GEBXHLAXSA-N
• XLogP: 6.84
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.98
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
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 (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol?

The IUPAC name of (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol (CID 11261950) is (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol.

What is the SMILES notation for (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol?

The canonical SMILES for (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol is CC1(C)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C[C@H](O)C(C)(C)C2SCCCS2)O1.

What is the InChIKey of (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol?

The InChIKey is URYRIYQPXPLHNK-GEBXHLAXSA-N. The full InChI is InChI=1S/C33H50O4S2Si/c1-31(2,3)40(27-15-10-8-11-16-27,28-17-12-9-13-18-28)35-20-19-25-23-26(37-33(6,7)36-25)24-29(34)32(4,5)30-38-21-14-22-39-30/h8-13,15-18,25-26,29-30,34H,14,19-24H2,1-7H3/t25-,26-,29+/m1/s1.

What are the key properties of (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol?

(2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol has a molecular weight of 602.98 g/mol, XLogP of 6.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-(1,3-dithian-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 11261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).