(2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol

C46H118O14Si12 — CID 153425811

About (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol

(2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol (PubChem CID 153425811) has the molecular formula C46H118O14Si12 and a molecular weight of 1232.47 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
• PubChem CID: 153425811
• Molecular Formula: C46H118O14Si12
• Molecular Weight: 1232.47 g/mol
• Exact Mass: 1230.58
• IUPAC Name: (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
• SMILES: C[Si](C)(C)O[Si](C)(CCCO[C@H]([C@H](OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C46H118O14Si12/c1-61(2,3)53-69(25,54-62(4,5)6)37-29-33-49-43(41-47)45(51-35-31-39-71(27,57-65(13,14)15)58-66(16,17)18)46(52-36-32-40-72(28,59-67(19,20)21)60-68(22,23)24)44(42-48)50-34-30-38-70(26,55-63(7,8)9)56-64(10,11)12/h43-48H,29-42H2,1-28H3/t43-,44+,45-,46+
• InChIKey: AIEHDSDPPOBSBJ-GFEGKYNESA-N
• XLogP: 13.17
• TPSA: 151.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 41
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1232.47
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?

The IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol (CID 153425811) is (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol.

What is the SMILES notation for (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?

The canonical SMILES for (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol is C[Si](C)(C)O[Si](C)(CCCO[C@H]([C@H](OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?

The InChIKey is AIEHDSDPPOBSBJ-GFEGKYNESA-N. The full InChI is InChI=1S/C46H118O14Si12/c1-61(2,3)53-69(25,54-62(4,5)6)37-29-33-49-43(41-47)45(51-35-31-39-71(27,57-65(13,14)15)58-66(16,17)18)46(52-36-32-40-72(28,59-67(19,20)21)60-68(22,23)24)44(42-48)50-34-30-38-70(26,55-63(7,8)9)56-64(10,11)12/h43-48H,29-42H2,1-28H3/t43-,44+,45-,46+.

What are the key properties of (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?

(2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol has a molecular weight of 1232.47 g/mol, XLogP of 13.17, 41 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol is sourced from PubChem (CID 153425811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).