methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate

C17H36O5Si2 — CID 46201676

IUPACmethyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate
SMILESCOC(=O)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C17H36O5Si2/c1-17(2,3)24(8,9)22-14(11-10-12-16(19)20-4)15(13-18)21-23(5,6)7/h13-15H,10-12H2,1-9H3/t14-,15+/m0/s1
InChIKeyXQQBYYMLOQSRDE-LSDHHAIUSA-N
MW376.64 g/mol
LogP4.14
Rot. Bonds10

About methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate

methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate (PubChem CID 46201676) has the molecular formula C17H36O5Si2 and a molecular weight of 376.64 g/mol. Its IUPAC name is methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Namemethyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate
PubChem CID46201676
Molecular FormulaC17H36O5Si2
Molecular Weight376.64 g/mol
Exact Mass376.21
IUPAC Namemethyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate
SMILESCOC(=O)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C17H36O5Si2/c1-17(2,3)24(8,9)22-14(11-10-12-16(19)20-4)15(13-18)21-23(5,6)7/h13-15H,10-12H2,1-9H3/t14-,15+/m0/s1
InChIKeyXQQBYYMLOQSRDE-LSDHHAIUSA-N
XLogP4.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate 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 (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134934797
Octadecanoic acid, 5,6,12,13-tetrakis[(trimethylsilyl)oxy]-, methyl ester
CID 609001
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-6-oxohexanoate
CID 10962788
5,14,15-Trihydroxyeicosanoic acid, methyl ester, tris(trimethylsilyl) ether
CID 91733313

Frequently Asked Questions

What is the IUPAC name of methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate?
The IUPAC name of methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate (CID 46201676) is methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate.
What is the SMILES notation for methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate?
The canonical SMILES for methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate is COC(=O)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C.
What is the InChIKey of methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate?
The InChIKey is XQQBYYMLOQSRDE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H36O5Si2/c1-17(2,3)24(8,9)22-14(11-10-12-16(19)20-4)15(13-18)21-23(5,6)7/h13-15H,10-12H2,1-9H3/t14-,15+/m0/s1.
What are the key properties of methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate?
methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate has a molecular weight of 376.64 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate is sourced from PubChem (CID 46201676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).