methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate

C14H28O5Si — CID 50901630

IUPACmethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate
SMILESCOC(=O)C[C@H](C[C@H](C=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-11(9-13(16)18-5)8-12(10-15)17-4/h10-12H,8-9H2,1-7H3/t11-,12+/m0/s1
InChIKeyVYYKJVJKXZTZAS-NWDGAFQWSA-N
MW304.46 g/mol
LogP2.54
Rot. Bonds8

About methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate

methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate (PubChem CID 50901630) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate.

Molecular Properties

Compound Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate
PubChem CID50901630
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate
SMILESCOC(=O)C[C@H](C[C@H](C=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-11(9-13(16)18-5)8-12(10-15)17-4/h10-12H,8-9H2,1-7H3/t11-,12+/m0/s1
InChIKeyVYYKJVJKXZTZAS-NWDGAFQWSA-N
XLogP2.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.54
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 (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate with MolForge

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
(2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxo-tetrahydro-2H-pyran-2-carbaldehyde
CID 16113282
Methyl 2-oxo-5-triethylsilyloxyhexanoate
CID 11334833
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-6-oxohexanoate
CID 10962788
tert-butyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxohexanoate
CID 15161682
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615
2-[Tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde
CID 85205070
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyhexanoate
CID 88853226
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 3,5-dimethoxy-6-oxohexanoate
CID 132046759
tert-butyl (3R,5S)-3,5-dimethoxy-6-oxohexanoate
CID 132046760

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate?
The IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate (CID 50901630) is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate.
What is the SMILES notation for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate?
The canonical SMILES for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate is COC(=O)C[C@H](C[C@H](C=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate?
The InChIKey is VYYKJVJKXZTZAS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-14(2,3)20(6,7)19-11(9-13(16)18-5)8-12(10-15)17-4/h10-12H,8-9H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate?
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate has a molecular weight of 304.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate is sourced from PubChem (CID 50901630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).