trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate

C17H42O5Si4 — CID 553597

IUPACtrimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate
SMILESC[Si](C)(C)OCC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-15(20-24(4,5)6)13-16(21-25(7,8)9)17(18)22-26(10,11)12/h15-16H,13-14H2,1-12H3
InChIKeyOQHUZALRVKVUOV-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.05
Rot. Bonds11

About trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate

trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate (PubChem CID 553597) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate
PubChem CID553597
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Nametrimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate
SMILESC[Si](C)(C)OCC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-15(20-24(4,5)6)13-16(21-25(7,8)9)17(18)22-26(10,11)12/h15-16H,13-14H2,1-12H3
InChIKeyOQHUZALRVKVUOV-UHFFFAOYSA-N
XLogP5.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.05
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

Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521646
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Saccharic acid, TMS # 1
CID 523400
Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646
1,2,3-Propanetricarboxylic acid, 1-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 528659
Threonic acid, tetrakis-TMS
CID 528672
Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Glucaric acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553859
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
2-Hydroxyglutarate, TBDMS
CID 634802
Lyxonic acid, 1,4-lactone, TMS
CID 6427169

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate (CID 553597) is trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate is C[Si](C)(C)OCC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate?
The InChIKey is OQHUZALRVKVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-15(20-24(4,5)6)13-16(21-25(7,8)9)17(18)22-26(10,11)12/h15-16H,13-14H2,1-12H3.
What are the key properties of trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate?
trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate has a molecular weight of 438.86 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,4,5-tris(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 553597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).