(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol

C24H50O2S2Si2 — CID 11237195

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol (PubChem CID 11237195) has the molecular formula C24H50O2S2Si2 and a molecular weight of 490.97 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol.

Molecular Properties

• Compound Name: (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol
• PubChem CID: 11237195
• Molecular Formula: C24H50O2S2Si2
• Molecular Weight: 490.97 g/mol
• Exact Mass: 490.28
• IUPAC Name: (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol
• SMILES: CC(C)[Si](C(C)C)(C(C)C)C1(C/C=C/[C@@H](CO)O[Si](C)(C)C(C)(C)C)SCCCS1
• InChI: InChI=1S/C24H50O2S2Si2/c1-19(2)30(20(3)4,21(5)6)24(27-16-13-17-28-24)15-12-14-22(18-25)26-29(10,11)23(7,8)9/h12,14,19-22,25H,13,15-18H2,1-11H3/b14-12+/t22-/m0/s1
• InChIKey: MOHUUIVSXNBCGI-VKXNWWILSA-N
• XLogP: 8.10
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.97
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol?

The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol (CID 11237195) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol.

What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol?

The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol is CC(C)[Si](C(C)C)(C(C)C)C1(C/C=C/[C@@H](CO)O[Si](C)(C)C(C)(C)C)SCCCS1.

What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol?

The InChIKey is MOHUUIVSXNBCGI-VKXNWWILSA-N. The full InChI is InChI=1S/C24H50O2S2Si2/c1-19(2)30(20(3)4,21(5)6)24(27-16-13-17-28-24)15-12-14-22(18-25)26-29(10,11)23(7,8)9/h12,14,19-22,25H,13,15-18H2,1-11H3/b14-12+/t22-/m0/s1.

What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol?

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol has a molecular weight of 490.97 g/mol, XLogP of 8.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-1-ol is sourced from PubChem (CID 11237195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).