(3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal

C14H34O4Si3 — CID 91750433

IUPAC(3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-19(2,3)16-12-14(18-21(7,8)9)13(10-11-15)17-20(4,5)6/h11,13-14H,10,12H2,1-9H3/t13-,14+/m1/s1
InChIKeyWJEJOIVWMARKGR-KGLIPLIRSA-N
MW350.68 g/mol
LogP3.87
Rot. Bonds10

About (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal

(3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal (PubChem CID 91750433) has the molecular formula C14H34O4Si3 and a molecular weight of 350.68 g/mol. Its IUPAC name is (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal.

Molecular Properties

Compound Name(3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal
PubChem CID91750433
Molecular FormulaC14H34O4Si3
Molecular Weight350.68 g/mol
Exact Mass350.18
IUPAC Name(3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-19(2,3)16-12-14(18-21(7,8)9)13(10-11-15)17-20(4,5)6/h11,13-14H,10,12H2,1-9H3/t13-,14+/m1/s1
InChIKeyWJEJOIVWMARKGR-KGLIPLIRSA-N
XLogP3.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 53.87
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

2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
l-Fucose, tetra-TMS-ether
CID 529420
D-2-Deoxyribose, 3TMS derivative
CID 553079
(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
CID 100980675
3-[Fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal
CID 11005137
2,5-Dideoxypentonic acid, tris-TMS
CID 523318
D(+)-Fucose, aldol, TMS
CID 14057174
2-Deoxy-D-galactose, aldol, TMS
CID 91750469
D(-)-Erythrose, aldol, TMS
CID 91750474
L(-)-Fucose, aldol, TMS
CID 91750480
Arabinose, tetrakis-TMS
CID 91751172
(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
CID 22211826

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal?
The IUPAC name of (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal (CID 91750433) is (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal.
What is the SMILES notation for (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal?
The canonical SMILES for (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](CC=O)O[Si](C)(C)C.
What is the InChIKey of (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal?
The InChIKey is WJEJOIVWMARKGR-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H34O4Si3/c1-19(2,3)16-12-14(18-21(7,8)9)13(10-11-15)17-20(4,5)6/h11,13-14H,10,12H2,1-9H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal?
(3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal has a molecular weight of 350.68 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4,5-tris(trimethylsilyloxy)pentanal is sourced from PubChem (CID 91750433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).