2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal

C21H52O6Si5 — CID 522260

IUPAC2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3
InChIKeyPPTMWEDTYQRQBC-UHFFFAOYSA-N
MW541.07 g/mol
LogP5.92
Rot. Bonds15

About 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal

2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal (PubChem CID 522260) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
PubChem CID522260
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Name2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3
InChIKeyPPTMWEDTYQRQBC-UHFFFAOYSA-N
XLogP5.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 55.92
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

D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Saccharic acid, TMS # 1
CID 523400
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
l-Fucose, tetra-TMS-ether
CID 529420
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
Glucaric acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553859
Glucuronic acid, TMS # 1
CID 22211710
Glucoheptonic acid (7tms)
CID 91749906
1-O,3-O,4-O,5-O,6-O-Pentakis(trimethylsilyl)-D-fructose
CID 14367659
(2S,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 15695113
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
The IUPAC name of 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal (CID 522260) is 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
The canonical SMILES for 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
The InChIKey is PPTMWEDTYQRQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3.
What are the key properties of 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal has a molecular weight of 541.07 g/mol, XLogP of 5.92, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 522260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).