bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate

C15H32O5Si3 — CID 11849993

IUPACbis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate
SMILESC=C[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O5Si3/c1-11-12(14(16)19-22(5,6)7)13(18-21(2,3)4)15(17)20-23(8,9)10/h11-13H,1H2,2-10H3/t12-,13+/m0/s1
InChIKeyUMDWNZXQURDZLE-QWHCGFSZSA-N
MW376.67 g/mol
LogP3.76
Rot. Bonds8

About bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate

bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate (PubChem CID 11849993) has the molecular formula C15H32O5Si3 and a molecular weight of 376.67 g/mol. Its IUPAC name is bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate
PubChem CID11849993
Molecular FormulaC15H32O5Si3
Molecular Weight376.67 g/mol
Exact Mass376.16
IUPAC Namebis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate
SMILESC=C[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O5Si3/c1-11-12(14(16)19-22(5,6)7)13(18-21(2,3)4)15(17)20-23(8,9)10/h11-13H,1H2,2-10H3/t12-,13+/m0/s1
InChIKeyUMDWNZXQURDZLE-QWHCGFSZSA-N
XLogP3.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 523378
trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
CID 91753644
trimethylsilyl (2R,3S,4R,5R)-6-methoxyimino-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 91753465
trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate
CID 12035786
trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
CID 523348
[(1Z)-1-ethoxy-3-trimethylsilyloxypenta-1,4-dienoxy]-trimethylsilane
CID 11522096
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637
bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate
CID 91735402

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate?
The IUPAC name of bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate (CID 11849993) is bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate?
The canonical SMILES for bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate is C=C[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate?
The InChIKey is UMDWNZXQURDZLE-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H32O5Si3/c1-11-12(14(16)19-22(5,6)7)13(18-21(2,3)4)15(17)20-23(8,9)10/h11-13H,1H2,2-10H3/t12-,13+/m0/s1.
What are the key properties of bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate?
bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate has a molecular weight of 376.67 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate is sourced from PubChem (CID 11849993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).