[(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane

C32H68O4Si3 — CID 11180956

About [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane

[(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane (PubChem CID 11180956) has the molecular formula C32H68O4Si3 and a molecular weight of 601.15 g/mol. Its IUPAC name is [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane.

Molecular Properties

• Compound Name: [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane
• PubChem CID: 11180956
• Molecular Formula: C32H68O4Si3
• Molecular Weight: 601.15 g/mol
• Exact Mass: 600.44
• IUPAC Name: [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane
• SMILES: CC/C=C(\C)C(O[Si](C)(C)C)[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)C(C)C
• InChI: InChI=1S/C32H68O4Si3/c1-19-20-28(14)30(36-37(16,17)18)32(15)31(34-32)29(35-39(25(8)9,26(10)11)27(12)13)21-33-38(22(2)3,23(4)5)24(6)7/h20,22-27,29-31H,19,21H2,1-18H3/b28-20+/t29-,30?,31+,32+/m1/s1
• InChIKey: AYFLWBJKIFBQQB-LWSHAMMPSA-N
• XLogP: 10.47
• TPSA: 40.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.15
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
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-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane?

The IUPAC name of [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane (CID 11180956) is [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane.

What is the SMILES notation for [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane?

The canonical SMILES for [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane is CC/C=C(\C)C(O[Si](C)(C)C)[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)C(C)C.

What is the InChIKey of [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane?

The InChIKey is AYFLWBJKIFBQQB-LWSHAMMPSA-N. The full InChI is InChI=1S/C32H68O4Si3/c1-19-20-28(14)30(36-37(16,17)18)32(15)31(34-32)29(35-39(25(8)9,26(10)11)27(12)13)21-33-38(22(2)3,23(4)5)24(6)7/h20,22-27,29-31H,19,21H2,1-18H3/b28-20+/t29-,30?,31+,32+/m1/s1.

What are the key properties of [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane?

[(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane has a molecular weight of 601.15 g/mol, XLogP of 10.47, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-1-[(2R,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-enoxy]-trimethylsilane is sourced from PubChem (CID 11180956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).