methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate

C13H28O3Si — CID 88637487

IUPACmethyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCCC[Si](C)(C)OCC[C@@H](C)CC(=O)OC
InChIInChI=1S/C13H28O3Si/c1-6-7-10-17(4,5)16-9-8-12(2)11-13(14)15-3/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyZHHBXWRTMKRZET-GFCCVEGCSA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds9

About methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate

methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate (PubChem CID 88637487) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate
PubChem CID88637487
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCCCC[Si](C)(C)OCC[C@@H](C)CC(=O)OC
InChIInChI=1S/C13H28O3Si/c1-6-7-10-17(4,5)16-9-8-12(2)11-13(14)15-3/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyZHHBXWRTMKRZET-GFCCVEGCSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate 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)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The IUPAC name of methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate (CID 88637487) is methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate.
What is the SMILES notation for methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The canonical SMILES for methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate is CCCC[Si](C)(C)OCC[C@@H](C)CC(=O)OC.
What is the InChIKey of methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The InChIKey is ZHHBXWRTMKRZET-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-7-10-17(4,5)16-9-8-12(2)11-13(14)15-3/h12H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate?
methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-[butyl(dimethyl)silyl]oxy-3-methylpentanoate is sourced from PubChem (CID 88637487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).