(2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol

C29H72O8Si6 — CID 153425807

About (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol

(2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol (PubChem CID 153425807) has the molecular formula C29H72O8Si6 and a molecular weight of 717.40 g/mol. Its IUPAC name is (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol.

Molecular Properties

• Compound Name: (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
• PubChem CID: 153425807
• Molecular Formula: C29H72O8Si6
• Molecular Weight: 717.40 g/mol
• Exact Mass: 716.38
• IUPAC Name: (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
• SMILES: C[Si](C)(C)O[Si](C)(C)CCCOC([C@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C29H72O8Si6/c1-38(2,3)35-41(10,11)22-16-19-32-27(25-30)29(34-21-18-24-43(14,15)37-40(7,8)9)28(26-31)33-20-17-23-42(12,13)36-39(4,5)6/h27-31H,16-26H2,1-15H3/t27-,28+,29?
• InChIKey: ZCZDTYRSIZXEGF-ULJKERAFSA-N
• XLogP: 7.47
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.40
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?

The IUPAC name of (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol (CID 153425807) is (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol.

What is the SMILES notation for (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?

The canonical SMILES for (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol is C[Si](C)(C)O[Si](C)(C)CCCOC([C@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?

The InChIKey is ZCZDTYRSIZXEGF-ULJKERAFSA-N. The full InChI is InChI=1S/C29H72O8Si6/c1-38(2,3)35-41(10,11)22-16-19-32-27(25-30)29(34-21-18-24-43(14,15)37-40(7,8)9)28(26-31)33-20-17-23-42(12,13)36-39(4,5)6/h27-31H,16-26H2,1-15H3/t27-,28+,29?.

What are the key properties of (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?

(2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol has a molecular weight of 717.40 g/mol, XLogP of 7.47, 25 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol is sourced from PubChem (CID 153425807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).