trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate

C13H32O4Si3 — CID 528639

IUPACtrimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate
SMILESC[Si](C)(C)OCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-18(2,3)15-11-12(16-19(4,5)6)10-13(14)17-20(7,8)9/h12H,10-11H2,1-9H3
InChIKeyOQDJJXAACZVZRO-UHFFFAOYSA-N
MW336.65 g/mol
LogP3.83
Rot. Bonds8

About trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate

trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate (PubChem CID 528639) has the molecular formula C13H32O4Si3 and a molecular weight of 336.65 g/mol. Its IUPAC name is trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate
PubChem CID528639
Molecular FormulaC13H32O4Si3
Molecular Weight336.65 g/mol
Exact Mass336.16
IUPAC Nametrimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate
SMILESC[Si](C)(C)OCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H32O4Si3/c1-18(2,3)15-11-12(16-19(4,5)6)10-13(14)17-20(7,8)9/h12H,10-11H2,1-9H3
InChIKeyOQDJJXAACZVZRO-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

beta-Hydroxybutyric acid (tms)
CID 521577
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
3,4-Bis-[(tms)oxy]butanoic acid
CID 87627564
Bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]succinate
CID 519591
Erythraric acid, TMS
CID 523397
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
Trimethylsilyl 2,4-bis[(trimethylsilyl)oxy]butanoate
CID 528646
Hexanedioic acid, 3-trimethylsiloxy-, bis(trimethylsilyl) ester
CID 528649
2-(4-Bromobutyl)-9,10-dihydrophenanthrene
CID 528652
Threonic acid, tetrakis-TMS
CID 528672
Ethyl tartrate, tris(trimethylsilyl)-
CID 553028

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate?
The IUPAC name of trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate (CID 528639) is trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate.
What is the SMILES notation for trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate?
The canonical SMILES for trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate is C[Si](C)(C)OCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate?
The InChIKey is OQDJJXAACZVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O4Si3/c1-18(2,3)15-11-12(16-19(4,5)6)10-13(14)17-20(7,8)9/h12H,10-11H2,1-9H3.
What are the key properties of trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate?
trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate has a molecular weight of 336.65 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,4-bis(trimethylsilyloxy)butanoate is sourced from PubChem (CID 528639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).