[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol

C24H52O4Si2 — CID 11224982

About [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol

[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol (PubChem CID 11224982) has the molecular formula C24H52O4Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol
• PubChem CID: 11224982
• Molecular Formula: C24H52O4Si2
• Molecular Weight: 460.85 g/mol
• Exact Mass: 460.34
• IUPAC Name: [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol
• SMILES: CC(C)[Si](OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@@]1(C)CO)(C(C)C)C(C)C
• InChI: InChI=1S/C24H52O4Si2/c1-16(2)29(17(3)4,18(5)6)26-14-22(23-24(13,15-25)27-23)28-30(19(7)8,20(9)10)21(11)12/h16-23,25H,14-15H2,1-13H3/t22-,23+,24+/m1/s1
• InChIKey: XWFVEKLMZSOCGO-SGNDLWITSA-N
• XLogP: 6.89
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.85
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol?

The IUPAC name of [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol (CID 11224982) is [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol.

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

The canonical SMILES for [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol is CC(C)[Si](OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@@]1(C)CO)(C(C)C)C(C)C.

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

The InChIKey is XWFVEKLMZSOCGO-SGNDLWITSA-N. The full InChI is InChI=1S/C24H52O4Si2/c1-16(2)29(17(3)4,18(5)6)26-14-22(23-24(13,15-25)27-23)28-30(19(7)8,20(9)10)21(11)12/h16-23,25H,14-15H2,1-13H3/t22-,23+,24+/m1/s1.

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

[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol has a molecular weight of 460.85 g/mol, XLogP of 6.89, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 11224982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).