dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate

C12H24O5Si — CID 22214952

IUPACdimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
SMILESCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(6,7)17-9(11(14)16-5)8-10(13)15-4/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyRLYXIPXHJVMOOL-VIFPVBQESA-N
MW276.40 g/mol
LogP2.11
Rot. Bonds5

About dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate

dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate (PubChem CID 22214952) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate.

Molecular Properties

Compound Namedimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
PubChem CID22214952
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Namedimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
SMILESCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(6,7)17-9(11(14)16-5)8-10(13)15-4/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyRLYXIPXHJVMOOL-VIFPVBQESA-N
XLogP2.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate 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 (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The IUPAC name of dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate (CID 22214952) is dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate.
What is the SMILES notation for dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The canonical SMILES for dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate is COC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The InChIKey is RLYXIPXHJVMOOL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)18(6,7)17-9(11(14)16-5)8-10(13)15-4/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate has a molecular weight of 276.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate is sourced from PubChem (CID 22214952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).