bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate

C16H36O5Si3 — CID 91696892

IUPACbis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate
SMILESCC(C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-13(2)16(21-24(9,10)11,15(18)20-23(6,7)8)12-14(17)19-22(3,4)5/h13H,12H2,1-11H3
InChIKeyNCWMZDPQUOFGKZ-UHFFFAOYSA-N
MW392.72 g/mol
LogP4.38
Rot. Bonds8

About bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate

bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate (PubChem CID 91696892) has the molecular formula C16H36O5Si3 and a molecular weight of 392.72 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate
PubChem CID91696892
Molecular FormulaC16H36O5Si3
Molecular Weight392.72 g/mol
Exact Mass392.19
IUPAC Namebis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate
SMILESCC(C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-13(2)16(21-24(9,10)11,15(18)20-23(6,7)8)12-14(17)19-22(3,4)5/h13H,12H2,1-11H3
InChIKeyNCWMZDPQUOFGKZ-UHFFFAOYSA-N
XLogP4.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(trimethylsilyl) 2,2-dimethylbutanedioate
CID 521644
bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate
CID 523329
bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate
CID 552440
bis(trimethylsilyl) 2,3-dihydroxy-2,3-di(propan-2-yl)butanedioate
CID 87375893
trimethylsilyl 2-fluoroacetate
CID 123819311
trimethylsilyl 2-(propanoylamino)acetate
CID 521686
trimethylsilyl 17-methyloctadecanoate
CID 91752780
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
trimethylsilyl 2-methoxy-2-methylpropanoate
CID 88550853
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
3-trimethylsilyloxybutanoic acid
CID 11008465
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate?
The IUPAC name of bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate (CID 91696892) is bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate is CC(C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate?
The InChIKey is NCWMZDPQUOFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O5Si3/c1-13(2)16(21-24(9,10)11,15(18)20-23(6,7)8)12-14(17)19-22(3,4)5/h13H,12H2,1-11H3.
What are the key properties of bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate?
bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate has a molecular weight of 392.72 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 91696892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).