methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate

C13H26O4Si — CID 138964688

IUPACmethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
SMILESCOC(=O)CC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11(9-10-14)7-8-12(15)16-4/h10-11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyZXCXNOUDQRMLHI-LLVKDONJSA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds7

About methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate

methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate (PubChem CID 138964688) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
PubChem CID138964688
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
SMILESCOC(=O)CC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11(9-10-14)7-8-12(15)16-4/h10-11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyZXCXNOUDQRMLHI-LLVKDONJSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate 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

Methyl 3-triethylsilylperoxyhexanoate
CID 85612780
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-oxohexanoate
CID 134987536
methyl (3R)-3-triethylsilyloxyhexanoate
CID 135041151
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
Ethyl 3-((tert-butyldimethylsilyl)oxy)hexanoate
CID 14264095
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 90371787
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 124016518
tert-butyl (3S)-6-oxo-3-trimethylsilyloxyhexanoate
CID 173965360
Tert-butyl 6-oxo-3-trimethylsilyloxyhexanoate
CID 173965362
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 173965366
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 10891081

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
The IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate (CID 138964688) is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate is COC(=O)CC[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
The InChIKey is ZXCXNOUDQRMLHI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)17-11(9-10-14)7-8-12(15)16-4/h10-11H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate?
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate has a molecular weight of 274.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate is sourced from PubChem (CID 138964688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).