1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one

C17H42O5Si4 — CID 627875

IUPAC1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
SMILESC[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(18)17(22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h16-17H,13-14H2,1-12H3
InChIKeyXICOLDUAIFLSIU-UHFFFAOYSA-N
MW438.86 g/mol
LogP4.70
Rot. Bonds12

About 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one

1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one (PubChem CID 627875) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one.

Molecular Properties

Compound Name1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
PubChem CID627875
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Name1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
SMILESC[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(18)17(22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h16-17H,13-14H2,1-12H3
InChIKeyXICOLDUAIFLSIU-UHFFFAOYSA-N
XLogP4.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
Threonic acid, tetrakis-TMS
CID 528672
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
1-O,3-O,4-O,5-O,6-O-Pentakis(trimethylsilyl)-D-fructose
CID 14367659
Arabinonic acid, pentakis-TMS
CID 523307
Erythronic acid, tetrakis-TMS
CID 523308
2-Deoxy-threo-pentaric acid, TMS
CID 523333
Arabinaric acid, (5TMS)-
CID 523386
Ribaric acid, TMS
CID 523409
D-Fructose, pentakis-TMS ether
CID 527499
D-Allose, ketol, TMS
CID 14367662
Ribonic acid, pentakis-TMS
CID 15720763

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
The IUPAC name of 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one (CID 627875) is 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one.
What is the SMILES notation for 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
The canonical SMILES for 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one is C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
The InChIKey is XICOLDUAIFLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(18)17(22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h16-17H,13-14H2,1-12H3.
What are the key properties of 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one has a molecular weight of 438.86 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one is sourced from PubChem (CID 627875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).