2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde

C15H32O6Si3 — CID 553539

IUPAC2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde
SMILESC[Si](C)(C)OC(C=O)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-22(2,3)19-11(10-16)12-13(20-23(4,5)6)14(15(17)18-12)21-24(7,8)9/h10-14H,1-9H3
InChIKeyNGXKKSIAXZQKDH-UHFFFAOYSA-N
MW392.67 g/mol
LogP2.77
Rot. Bonds8

About 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde

2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde (PubChem CID 553539) has the molecular formula C15H32O6Si3 and a molecular weight of 392.67 g/mol. Its IUPAC name is 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde.

Molecular Properties

Compound Name2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde
PubChem CID553539
Molecular FormulaC15H32O6Si3
Molecular Weight392.67 g/mol
Exact Mass392.15
IUPAC Name2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde
SMILESC[Si](C)(C)OC(C=O)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-22(2,3)19-11(10-16)12-13(20-23(4,5)6)14(15(17)18-12)21-24(7,8)9/h10-14H,1-9H3
InChIKeyNGXKKSIAXZQKDH-UHFFFAOYSA-N
XLogP2.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde?
The IUPAC name of 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde (CID 553539) is 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde.
What is the SMILES notation for 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde?
The canonical SMILES for 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde is C[Si](C)(C)OC(C=O)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde?
The InChIKey is NGXKKSIAXZQKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6Si3/c1-22(2,3)19-11(10-16)12-13(20-23(4,5)6)14(15(17)18-12)21-24(7,8)9/h10-14H,1-9H3.
What are the key properties of 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde?
2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde has a molecular weight of 392.67 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetaldehyde is sourced from PubChem (CID 553539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).