diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate

C18H38O6Si2 — CID 139989317

IUPACdiethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCOC(=O)C(CC)(O[Si](C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C18H38O6Si2/c1-11-17(15(19)21-13-3,23-25(5,6)7)18(12-2,16(20)22-14-4)24-26(8,9)10/h11-14H2,1-10H3
InChIKeyAUNPEAAYMHGVDY-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.11
Rot. Bonds11

About diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate

diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 139989317) has the molecular formula C18H38O6Si2 and a molecular weight of 406.67 g/mol. Its IUPAC name is diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namediethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID139989317
Molecular FormulaC18H38O6Si2
Molecular Weight406.67 g/mol
Exact Mass406.22
IUPAC Namediethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCOC(=O)C(CC)(O[Si](C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C18H38O6Si2/c1-11-17(15(19)21-13-3,23-25(5,6)7)18(12-2,16(20)22-14-4)24-26(8,9)10/h11-14H2,1-10H3
InChIKeyAUNPEAAYMHGVDY-UHFFFAOYSA-N
XLogP4.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethyl 2,3-diethyl-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

2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
2-Isopropylmalic acid, O-trimethylsilyl-, bis(trimethylsilyl) ester
CID 91696892
Isopropylmalic acid, O-(tert-butyldimethylsilyl)-, bis(tert-butyldimethylsilyl) ester
CID 91696672
Diethyl 2-[3-[diethoxy(ethyl)silyl]propoxy]-2-propylbutanedioate
CID 124027086
Dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
CID 139989233
Diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
Dipropan-2-yl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
CID 139989251
Dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate
CID 139989257
Dipentyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989259
Dibutyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
CID 139989264
Dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989271
Bis(2-methylpropyl) 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989273

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 139989317) is diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is CCOC(=O)C(CC)(O[Si](C)(C)C)C(CC)(O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is AUNPEAAYMHGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6Si2/c1-11-17(15(19)21-13-3,23-25(5,6)7)18(12-2,16(20)22-14-4)24-26(8,9)10/h11-14H2,1-10H3.
What are the key properties of diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate?
diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 406.67 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-diethyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 139989317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).