(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal

C24H54O4Si3 — CID 11038303

IUPAC(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-19(26-29(11,12)22(2,3)4)21(28-31(15,16)24(8,9)10)20(17-18-25)27-30(13,14)23(5,6)7/h18-21H,17H2,1-16H3/t19-,20+,21-/m1/s1
InChIKeyQYBLCABMGYYRPG-QHAWAJNXSA-N
MW490.95 g/mol
LogP7.77
Rot. Bonds10

About (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal

(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal (PubChem CID 11038303) has the molecular formula C24H54O4Si3 and a molecular weight of 490.95 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal
PubChem CID11038303
Molecular FormulaC24H54O4Si3
Molecular Weight490.95 g/mol
Exact Mass490.33
IUPAC Name(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-19(26-29(11,12)22(2,3)4)21(28-31(15,16)24(8,9)10)20(17-18-25)27-30(13,14)23(5,6)7/h18-21H,17H2,1-16H3/t19-,20+,21-/m1/s1
InChIKeyQYBLCABMGYYRPG-QHAWAJNXSA-N
XLogP7.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The IUPAC name of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal (CID 11038303) is (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal.
What is the SMILES notation for (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The canonical SMILES for (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal?
The InChIKey is QYBLCABMGYYRPG-QHAWAJNXSA-N. The full InChI is InChI=1S/C24H54O4Si3/c1-19(26-29(11,12)22(2,3)4)21(28-31(15,16)24(8,9)10)20(17-18-25)27-30(13,14)23(5,6)7/h18-21H,17H2,1-16H3/t19-,20+,21-/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal?
(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal has a molecular weight of 490.95 g/mol, XLogP of 7.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal is sourced from PubChem (CID 11038303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).