2,3,4,5-tetrakis(trimethylsilyloxy)pentanal

C17H42O5Si4 — CID 529416

IUPAC2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3
InChIKeyDWTGGLMCGFIELV-UHFFFAOYSA-N
MW438.86 g/mol
LogP4.70
Rot. Bonds12

About 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal

2,3,4,5-tetrakis(trimethylsilyloxy)pentanal (PubChem CID 529416) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal.

Molecular Properties

Compound Name2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
PubChem CID529416
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Name2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3
InChIKeyDWTGGLMCGFIELV-UHFFFAOYSA-N
XLogP4.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
The IUPAC name of 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal (CID 529416) is 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal.
What is the SMILES notation for 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
The canonical SMILES for 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal is C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
The InChIKey is DWTGGLMCGFIELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3.
What are the key properties of 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
2,3,4,5-tetrakis(trimethylsilyloxy)pentanal has a molecular weight of 438.86 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(trimethylsilyloxy)pentanal is sourced from PubChem (CID 529416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).