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

C17H34O4Si — CID 23241629

IUPACmethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate
SMILESCCCCC[C@H](CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-9-10-11-15(12-14(18)13-16(19)20-5)21-22(6,7)17(2,3)4/h15H,8-13H2,1-7H3/t15-/m1/s1
InChIKeyQTHBIVFXOZZVHV-OAHLLOKOSA-N
MW330.54 g/mol
LogP4.48
Rot. Bonds10

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

methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate (PubChem CID 23241629) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate.

Molecular Properties

Compound Namemethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate
PubChem CID23241629
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namemethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate
SMILESCCCCC[C@H](CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-9-10-11-15(12-14(18)13-16(19)20-5)21-22(6,7)17(2,3)4/h15H,8-13H2,1-7H3/t15-/m1/s1
InChIKeyQTHBIVFXOZZVHV-OAHLLOKOSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
Methyl (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
CID 15162943
Methyl 5,6,13,14-tetra-(trimethylsilyloxy)-docosanoate
CID 129727365
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (2rs,5s)-5-[t-butyl(dimethyl)silyloxy]-2-hexyl-3-oxodecanoate
CID 129750920
Methyl (2rs,5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-2-hexyl-3-oxohexadecanoate
CID 129758585
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
methyl (5R,6R)-5-hydroxy-3-oxo-6-tri(propan-2-yl)silyloxyheptanoate
CID 134880975

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate?
The IUPAC name of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate (CID 23241629) is methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate.
What is the SMILES notation for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate?
The canonical SMILES for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate is CCCCC[C@H](CC(=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate?
The InChIKey is QTHBIVFXOZZVHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-9-10-11-15(12-14(18)13-16(19)20-5)21-22(6,7)17(2,3)4/h15H,8-13H2,1-7H3/t15-/m1/s1.
What are the key properties of methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate?
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate has a molecular weight of 330.54 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxodecanoate is sourced from PubChem (CID 23241629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).