(2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal

C13H32O4Si3 — CID 91750474

IUPAC(2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-18(2,3)15-11-13(17-20(7,8)9)12(10-14)16-19(4,5)6/h10,12-13H,11H2,1-9H3/t12-,13+/m1/s1
InChIKeyUPIKFSIKTWCYLN-OLZOCXBDSA-N
MW336.65 g/mol
LogP3.48
Rot. Bonds9

About (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal

(2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal (PubChem CID 91750474) has the molecular formula C13H32O4Si3 and a molecular weight of 336.65 g/mol. Its IUPAC name is (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal.

Molecular Properties

Compound Name(2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal
PubChem CID91750474
Molecular FormulaC13H32O4Si3
Molecular Weight336.65 g/mol
Exact Mass336.16
IUPAC Name(2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-18(2,3)15-11-13(17-20(7,8)9)12(10-14)16-19(4,5)6/h10,12-13H,11H2,1-9H3/t12-,13+/m1/s1
InChIKeyUPIKFSIKTWCYLN-OLZOCXBDSA-N
XLogP3.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 53.48
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'}

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Related Compounds

2-(4-Bromobutyl)-9,10-dihydrophenanthrene
CID 528652
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
D-2-Deoxyribose, 3TMS derivative
CID 553079
(2S,3R)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 11270435
(2S,3S)-3-hydroxy-2,4-bis[tri(propan-2-yl)silyloxy]butanal
CID 24879930
(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
CID 100980675
(3R)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 134878763
4-Deoxytetronic acid, threo-, tri-TMS
CID 523376
alpha-2-Deoxy-D-ribose, TMS
CID 91750433
D(-)-Erythrose, ketol, TMS
CID 91750475
Arabinose, tetrakis-TMS
CID 91751172
4-Deoxytetronic acid, erithro-, tri-TMS
CID 91751318

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal?
The IUPAC name of (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal (CID 91750474) is (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal.
What is the SMILES notation for (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal?
The canonical SMILES for (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal?
The InChIKey is UPIKFSIKTWCYLN-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H32O4Si3/c1-18(2,3)15-11-13(17-20(7,8)9)12(10-14)16-19(4,5)6/h10,12-13H,11H2,1-9H3/t12-,13+/m1/s1.
What are the key properties of (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal?
(2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal has a molecular weight of 336.65 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,4-tris(trimethylsilyloxy)butanal is sourced from PubChem (CID 91750474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).