bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate

C25H54O5Si3 — CID 91696672

IUPACbis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate
SMILESCC(C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O5Si3/c1-19(2)25(30-33(16,17)24(9,10)11,21(27)29-32(14,15)23(6,7)8)18-20(26)28-31(12,13)22(3,4)5/h19H,18H2,1-17H3
InChIKeyMSHNLBZIWHIORN-UHFFFAOYSA-N
MW518.96 g/mol
LogP7.89
Rot. Bonds8

About bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate

bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate (PubChem CID 91696672) has the molecular formula C25H54O5Si3 and a molecular weight of 518.96 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate
PubChem CID91696672
Molecular FormulaC25H54O5Si3
Molecular Weight518.96 g/mol
Exact Mass518.33
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate
SMILESCC(C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O5Si3/c1-19(2)25(30-33(16,17)24(9,10)11,21(27)29-32(14,15)23(6,7)8)18-20(26)28-31(12,13)22(3,4)5/h19H,18H2,1-17H3
InChIKeyMSHNLBZIWHIORN-UHFFFAOYSA-N
XLogP7.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-Isopropylmalic acid, O-trimethylsilyl-, bis(trimethylsilyl) ester
CID 91696892
Citramalic acid, 3TBDMS derivative
CID 91745249
Methylcitric acid, tetraTBDMS (1)
CID 6430569
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

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate (CID 91696672) is bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate is CC(C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate?
The InChIKey is MSHNLBZIWHIORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O5Si3/c1-19(2)25(30-33(16,17)24(9,10)11,21(27)29-32(14,15)23(6,7)8)18-20(26)28-31(12,13)22(3,4)5/h19H,18H2,1-17H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate?
bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate has a molecular weight of 518.96 g/mol, XLogP of 7.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylbutanedioate is sourced from PubChem (CID 91696672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).