(2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal

C24H64O3Si8 — CID 139046915

IUPAC(2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal
SMILESCCC[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H](C=O)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C24H64O3Si8/c1-20-21-23(26-34(28(2,3)4,29(5,6)7)30(8,9)10)24(22-25)27-35(31(11,12)13,32(14,15)16)33(17,18)19/h22-24H,20-21H2,1-19H3/t23-,24-/m1/s1
InChIKeyUXARXIVDHDCKIM-DNQXCXABSA-N
MW625.46 g/mol
LogP8.15
Rot. Bonds14

About (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal

(2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal (PubChem CID 139046915) has the molecular formula C24H64O3Si8 and a molecular weight of 625.46 g/mol. Its IUPAC name is (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal.

Molecular Properties

Compound Name(2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal
PubChem CID139046915
Molecular FormulaC24H64O3Si8
Molecular Weight625.46 g/mol
Exact Mass624.30
IUPAC Name(2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal
SMILESCCC[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H](C=O)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C24H64O3Si8/c1-20-21-23(26-34(28(2,3)4,29(5,6)7)30(8,9)10)24(22-25)27-35(31(11,12)13,32(14,15)16)33(17,18)19/h22-24H,20-21H2,1-19H3/t23-,24-/m1/s1
InChIKeyUXARXIVDHDCKIM-DNQXCXABSA-N
XLogP8.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.46
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal?
The IUPAC name of (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal (CID 139046915) is (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal.
What is the SMILES notation for (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal?
The canonical SMILES for (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal is CCC[C@@H](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[C@@H](C=O)O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal?
The InChIKey is UXARXIVDHDCKIM-DNQXCXABSA-N. The full InChI is InChI=1S/C24H64O3Si8/c1-20-21-23(26-34(28(2,3)4,29(5,6)7)30(8,9)10)24(22-25)27-35(31(11,12)13,32(14,15)16)33(17,18)19/h22-24H,20-21H2,1-19H3/t23-,24-/m1/s1.
What are the key properties of (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal?
(2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal has a molecular weight of 625.46 g/mol, XLogP of 8.15, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis[tris(trimethylsilyl)silyloxy]hexanal is sourced from PubChem (CID 139046915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).