(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal

C18H44O5Si4 — CID 91750469

IUPAC(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-24(2,3)20-15-17(22-26(7,8)9)18(23-27(10,11)12)16(13-14-19)21-25(4,5)6/h14,16-18H,13,15H2,1-12H3/t16-,17-,18-/m0/s1
InChIKeyWQGYHSMEGAKWMM-BZSNNMDCSA-N
MW452.89 g/mol
LogP5.09
Rot. Bonds13

About (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal

(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 91750469) has the molecular formula C18H44O5Si4 and a molecular weight of 452.89 g/mol. Its IUPAC name is (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal
PubChem CID91750469
Molecular FormulaC18H44O5Si4
Molecular Weight452.89 g/mol
Exact Mass452.23
IUPAC Name(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-24(2,3)20-15-17(22-26(7,8)9)18(23-27(10,11)12)16(13-14-19)21-25(4,5)6/h14,16-18H,13,15H2,1-12H3/t16-,17-,18-/m0/s1
InChIKeyWQGYHSMEGAKWMM-BZSNNMDCSA-N
XLogP5.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.09
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 (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal (CID 91750469) is (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC=O)O[Si](C)(C)C.
What is the InChIKey of (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is WQGYHSMEGAKWMM-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H44O5Si4/c1-24(2,3)20-15-17(22-26(7,8)9)18(23-27(10,11)12)16(13-14-19)21-25(4,5)6/h14,16-18H,13,15H2,1-12H3/t16-,17-,18-/m0/s1.
What are the key properties of (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 452.89 g/mol, XLogP of 5.09, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 91750469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).