(E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol

C26H54O4Si2 — CID 10767293

About (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol

(E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol (PubChem CID 10767293) has the molecular formula C26H54O4Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol.

Molecular Properties

• Compound Name: (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol
• PubChem CID: 10767293
• Molecular Formula: C26H54O4Si2
• Molecular Weight: 486.89 g/mol
• Exact Mass: 486.36
• IUPAC Name: (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol
• SMILES: CC/C=C(\C)C(O)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H54O4Si2/c1-15-16-21(8)23(27)26(12)24(29-26)22(30-31(13,14)25(9,10)11)17-28-32(18(2)3,19(4)5)20(6)7/h16,18-20,22-24,27H,15,17H2,1-14H3/b21-16+/t22-,23?,24+,26+/m1/s1
• InChIKey: UEGUGONUZLGFPG-VOSRFNTPSA-N
• XLogP: 7.44
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.89
LogP ≤ 5	7.44
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol (CID 10767293) is (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol.

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

The canonical SMILES for (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol is CC/C=C(\C)C(O)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol?

The InChIKey is UEGUGONUZLGFPG-VOSRFNTPSA-N. The full InChI is InChI=1S/C26H54O4Si2/c1-15-16-21(8)23(27)26(12)24(29-26)22(30-31(13,14)25(9,10)11)17-28-32(18(2)3,19(4)5)20(6)7/h16,18-20,22-24,27H,15,17H2,1-14H3/b21-16+/t22-,23?,24+,26+/m1/s1.

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

(E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol has a molecular weight of 486.89 g/mol, XLogP of 7.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol is sourced from PubChem (CID 10767293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).