methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate

C14H32O4Si2 — CID 162399709

IUPACmethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate
SMILESCOC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O4Si2/c1-14(2,3)20(8,9)17-11-12(10-13(15)16-4)18-19(5,6)7/h12H,10-11H2,1-9H3/t12-/m1/s1
InChIKeyMAFFOIIPJIPCJI-GFCCVEGCSA-N
MW320.58 g/mol
LogP3.79
Rot. Bonds7

About methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate

methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate (PubChem CID 162399709) has the molecular formula C14H32O4Si2 and a molecular weight of 320.58 g/mol. Its IUPAC name is methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate
PubChem CID162399709
Molecular FormulaC14H32O4Si2
Molecular Weight320.58 g/mol
Exact Mass320.18
IUPAC Namemethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate
SMILESCOC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H32O4Si2/c1-14(2,3)20(8,9)17-11-12(10-13(15)16-4)18-19(5,6)7/h12H,10-11H2,1-9H3/t12-/m1/s1
InChIKeyMAFFOIIPJIPCJI-GFCCVEGCSA-N
XLogP3.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.58
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate 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 methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate?
The IUPAC name of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate (CID 162399709) is methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate?
The canonical SMILES for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate is COC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate?
The InChIKey is MAFFOIIPJIPCJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H32O4Si2/c1-14(2,3)20(8,9)17-11-12(10-13(15)16-4)18-19(5,6)7/h12H,10-11H2,1-9H3/t12-/m1/s1.
What are the key properties of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate?
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate has a molecular weight of 320.58 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 162399709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).