(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol

C24H62O8Si6 — CID 153425799

About (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol

(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol (PubChem CID 153425799) has the molecular formula C24H62O8Si6 and a molecular weight of 647.27 g/mol. Its IUPAC name is (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol.

Molecular Properties

• Compound Name: (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol
• PubChem CID: 153425799
• Molecular Formula: C24H62O8Si6
• Molecular Weight: 647.27 g/mol
• Exact Mass: 646.31
• IUPAC Name: (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C24H62O8Si6/c1-33(2,3)29-37(11,12)31-35(7,8)19-15-17-27-23(21-25)24(22-26)28-18-16-20-36(9,10)32-38(13,14)30-34(4,5)6/h23-26H,15-22H2,1-14H3/t23-,24+
• InChIKey: LPIHRCDAFRSXIC-PSWAGMNNSA-N
• XLogP: 6.07
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.27
LogP ≤ 5	6.07
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 (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol?

The IUPAC name of (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol (CID 153425799) is (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol.

What is the SMILES notation for (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol?

The canonical SMILES for (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCO[C@@H](CO)[C@@H](CO)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol?

The InChIKey is LPIHRCDAFRSXIC-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H62O8Si6/c1-33(2,3)29-37(11,12)31-35(7,8)19-15-17-27-23(21-25)24(22-26)28-18-16-20-36(9,10)32-38(13,14)30-34(4,5)6/h23-26H,15-22H2,1-14H3/t23-,24+.

What are the key properties of (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol?

(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol has a molecular weight of 647.27 g/mol, XLogP of 6.07, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol is sourced from PubChem (CID 153425799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).