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

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Methyl [(isopropoxycarbonyl)disulfanyl]acetate
CID 523775
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
Methylcitric acid, tetrakis(trimethylsilyl) deriv.
CID 530815
Methylcitric acid, tetraTBDMS (1)
CID 6430569
Isopropylmalic acid, O-(tert-butyldimethylsilyl)-, bis(tert-butyldimethylsilyl) ester
CID 91696672
Bis(trimethylsilyl) 2,3-dihydroxy-2,3-di(propan-2-yl)butanedioate
CID 87375893
Bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989273
Ditert-butyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989296
Diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989317
Dipropyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989335
Dipentyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989373

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).