dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate

C16H32O5Si — CID 102212936

IUPACdimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate
SMILESCOC(=O)[C@H](CC(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-11(2)10-12(14(17)19-6)13(15(18)20-7)21-22(8,9)16(3,4)5/h11-13H,10H2,1-9H3/t12-,13-/m1/s1
InChIKeyGBDRHNYMNNGSBE-CHWSQXEVSA-N
MW332.51 g/mol
LogP3.39
Rot. Bonds7

About dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate

dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate (PubChem CID 102212936) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate
PubChem CID102212936
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namedimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate
SMILESCOC(=O)[C@H](CC(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-11(2)10-12(14(17)19-6)13(15(18)20-7)21-22(8,9)16(3,4)5/h11-13H,10H2,1-9H3/t12-,13-/m1/s1
InChIKeyGBDRHNYMNNGSBE-CHWSQXEVSA-N
XLogP3.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate?
The IUPAC name of dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate (CID 102212936) is dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate is COC(=O)[C@H](CC(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate?
The InChIKey is GBDRHNYMNNGSBE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-11(2)10-12(14(17)19-6)13(15(18)20-7)21-22(8,9)16(3,4)5/h11-13H,10H2,1-9H3/t12-,13-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate?
dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate has a molecular weight of 332.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)butanedioate is sourced from PubChem (CID 102212936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).