trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate

C17H42O5Si4 — CID 552774

IUPACtrimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate
SMILESC[Si](C)(C)OCCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-13-17(22-26(10,11)12,15-20-24(4,5)6)16(18)21-25(7,8)9/h13-15H2,1-12H3
InChIKeyFKAKIAINQCBRDM-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.05
Rot. Bonds11

About trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate

trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate (PubChem CID 552774) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate
PubChem CID552774
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Nametrimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate
SMILESC[Si](C)(C)OCCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-13-17(22-26(10,11)12,15-20-24(4,5)6)16(18)21-25(7,8)9/h13-15H2,1-12H3
InChIKeyFKAKIAINQCBRDM-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'}

Analyze trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethylsilyl 2-methyl-2,3-bis[(trimethylsilyl)oxy]propanoate
CID 553502
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Bis(trimethylsilyl)-3-deoxy-2-C-(hydroxymethyl)-tetrono-1,4-lactone
CID 523355
Erythraric acid, TMS
CID 523397
Citramalic acid, TMS
CID 526005
Bis[tert-butyl(dimethyl)silyl] 2-([tert-butyl(dimethyl)silyl]oxy)succinate
CID 528581
Butanedioic acid, 2,3-bis[(tert-butyldimethylsilyl)oxy]-, bis(tert-butyldimethylsilyl) ester
CID 528598
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639
Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646
2-(4-Bromobutyl)-9,10-dihydrophenanthrene
CID 528652

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
The IUPAC name of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate (CID 552774) is trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate.
What is the SMILES notation for trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
The canonical SMILES for trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate is C[Si](C)(C)OCCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
The InChIKey is FKAKIAINQCBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-13-17(22-26(10,11)12,15-20-24(4,5)6)16(18)21-25(7,8)9/h13-15H2,1-12H3.
What are the key properties of trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate?
trimethylsilyl 2,4-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate 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-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)butanoate is sourced from PubChem (CID 552774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).