dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate

C20H42O6Si2 — CID 139989341

IUPACdibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCCCOC(=O)C(C)(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(=O)OCCCC
InChIInChI=1S/C20H42O6Si2/c1-11-13-15-23-17(21)19(3,25-27(5,6)7)20(4,26-28(8,9)10)18(22)24-16-14-12-2/h11-16H2,1-10H3
InChIKeyPEHXLGHISKRPEF-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.89
Rot. Bonds13

About dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate

dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 139989341) has the molecular formula C20H42O6Si2 and a molecular weight of 434.72 g/mol. Its IUPAC name is dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namedibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID139989341
Molecular FormulaC20H42O6Si2
Molecular Weight434.72 g/mol
Exact Mass434.25
IUPAC Namedibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCCCOC(=O)C(C)(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(=O)OCCCC
InChIInChI=1S/C20H42O6Si2/c1-11-13-15-23-17(21)19(3,25-27(5,6)7)20(4,26-28(8,9)10)18(22)24-16-14-12-2/h11-16H2,1-10H3
InChIKeyPEHXLGHISKRPEF-UHFFFAOYSA-N
XLogP4.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate 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

dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
2-Deoxy-3-C-methyltetraric acid, TMS
CID 523329
Bis(trimethylsilyl)-3-deoxy-2-C-(hydroxymethyl)-tetrono-1,4-lactone
CID 523355
Citramalic acid, TMS
CID 526005
Ethyl tartrate, tris(trimethylsilyl)-
CID 553028
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
1-Ethyl 4-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696650
Citramalic acid, 3TBDMS derivative
CID 91745249
Diethyl tartrate, bis(trimethylsilyl)-
CID 551975
(+)-Diisopropyl-O,O'-bis(trimethylsilyl)-L-tartrate
CID 11036237
diethyl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 11450967

Frequently Asked Questions

What is the IUPAC name of dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 139989341) is dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate is CCCCOC(=O)C(C)(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(=O)OCCCC.
What is the InChIKey of dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is PEHXLGHISKRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6Si2/c1-11-13-15-23-17(21)19(3,25-27(5,6)7)20(4,26-28(8,9)10)18(22)24-16-14-12-2/h11-16H2,1-10H3.
What are the key properties of dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 434.72 g/mol, XLogP of 4.89, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 139989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).