bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate

C17H40O6Si4 — CID 523360

IUPACbis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
SMILESC[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14(16(18)22-26(7,8)9)13-15(21-25(4,5)6)17(19)23-27(10,11)12/h14-15H,13H2,1-12H3/t14-,15+
InChIKeyKJJOKCNZSWRSBI-GASCZTMLSA-N
MW452.85 g/mol
LogP4.57
Rot. Bonds10

About bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate

bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate (PubChem CID 523360) has the molecular formula C17H40O6Si4 and a molecular weight of 452.85 g/mol. Its IUPAC name is bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
PubChem CID523360
Molecular FormulaC17H40O6Si4
Molecular Weight452.85 g/mol
Exact Mass452.19
IUPAC Namebis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
SMILESC[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H40O6Si4/c1-24(2,3)20-14(16(18)22-26(7,8)9)13-15(21-25(4,5)6)17(19)23-27(10,11)12/h14-15H,13H2,1-12H3/t14-,15+
InChIKeyKJJOKCNZSWRSBI-GASCZTMLSA-N
XLogP4.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate with MolForge

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Related Compounds

trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
CID 523348
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
CID 91746743
trimethylsilyl 2-trimethylsilyloxyoctanoate
CID 91730031
trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760
trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014
2-trimethylsilyloxybutanoic acid
CID 88616813
trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 523378
bis(trimethylsilyl) (2S,3R)-2-ethenyl-3-trimethylsilyloxybutanedioate
CID 11849993
trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
CID 91753644
trimethylsilyl (2S)-2-aminopentanoate
CID 140849909
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate?
The IUPAC name of bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate (CID 523360) is bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate.
What is the SMILES notation for bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate?
The canonical SMILES for bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate is C[Si](C)(C)OC(=O)[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 bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate?
The InChIKey is KJJOKCNZSWRSBI-GASCZTMLSA-N. The full InChI is InChI=1S/C17H40O6Si4/c1-24(2,3)20-14(16(18)22-26(7,8)9)13-15(21-25(4,5)6)17(19)23-27(10,11)12/h14-15H,13H2,1-12H3/t14-,15+.
What are the key properties of bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate?
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate has a molecular weight of 452.85 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate is sourced from PubChem (CID 523360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).