methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate

C11H22O4Si — CID 134878017

IUPACmethyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
SMILESCOC(=O)C[C@H](CCC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-9(12)6-7-10(8-11(13)14-2)15-16(3,4)5/h10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyOJMZWVWSIFQMSC-JTQLQIEISA-N
MW246.38 g/mol
LogP2.14
Rot. Bonds7

About methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate

methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate (PubChem CID 134878017) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Namemethyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
PubChem CID134878017
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Namemethyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
SMILESCOC(=O)C[C@H](CCC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-9(12)6-7-10(8-11(13)14-2)15-16(3,4)5/h10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyOJMZWVWSIFQMSC-JTQLQIEISA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
Trimethylsilyl 3,12-bis(trimethylsilyloxy)dodecanoate
CID 173952176
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxoheptanoate
CID 10708520
Methyl 3-triethylsilylperoxyhexanoate
CID 85612780
Methyl 3-triethylsilylperoxynonanoate
CID 85612785
Methyl 3-triethylsilylperoxyundecanoate
CID 85612787
CID 85629213
CID 85629213
5-(2-Trimethylsilyloxypropyl)dihydro-2(3h)furanone
CID 129691952
3-Trimethylsiloxysebacic acid
CID 129845632

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate?
The IUPAC name of methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate (CID 134878017) is methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate.
What is the SMILES notation for methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate?
The canonical SMILES for methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate is COC(=O)C[C@H](CCC(C)=O)O[Si](C)(C)C.
What is the InChIKey of methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate?
The InChIKey is OJMZWVWSIFQMSC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22O4Si/c1-9(12)6-7-10(8-11(13)14-2)15-16(3,4)5/h10H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate?
methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate has a molecular weight of 246.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate is sourced from PubChem (CID 134878017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).