trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate

C14H34O4Si3 — CID 523348

IUPACtrimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
SMILESC[C@@H](C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-12(16-19(2,3)4)11-13(17-20(5,6)7)14(15)18-21(8,9)10/h12-13H,11H2,1-10H3/t12-,13-/m0/s1
InChIKeyKDUBUBHHCGXSBY-STQMWFEESA-N
MW350.68 g/mol
LogP4.21
Rot. Bonds8

About trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate

trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate (PubChem CID 523348) has the molecular formula C14H34O4Si3 and a molecular weight of 350.68 g/mol. Its IUPAC name is trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
PubChem CID523348
Molecular FormulaC14H34O4Si3
Molecular Weight350.68 g/mol
Exact Mass350.18
IUPAC Nametrimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
SMILESC[C@@H](C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O4Si3/c1-12(16-19(2,3)4)11-13(17-20(5,6)7)14(15)18-21(8,9)10/h12-13H,11H2,1-10H3/t12-,13-/m0/s1
InChIKeyKDUBUBHHCGXSBY-STQMWFEESA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 54.21
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

bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
CID 91746743
trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
trimethylsilyl 2-trimethylsilyloxyoctanoate
CID 91730031
3-trimethylsilyloxybutanoic acid
CID 11008465
S-(2-trimethylsilyloxypropyl) ethanethioate
CID 71623584
trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014
dimethyl-bis(4-methylpentan-2-yloxy)silane
CID 91733276
trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 523378
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637
trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate (CID 523348) is trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate is C[C@@H](C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate?
The InChIKey is KDUBUBHHCGXSBY-STQMWFEESA-N. The full InChI is InChI=1S/C14H34O4Si3/c1-12(16-19(2,3)4)11-13(17-20(5,6)7)14(15)18-21(8,9)10/h12-13H,11H2,1-10H3/t12-,13-/m0/s1.
What are the key properties of trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate?
trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate has a molecular weight of 350.68 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 523348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).