methyl 6-trimethylsilyloxyhexanoate

C10H22O3Si — CID 91696355

IUPACmethyl 6-trimethylsilyloxyhexanoate
SMILESCOC(=O)CCCCCO[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-12-10(11)8-6-5-7-9-13-14(2,3)4/h5-9H2,1-4H3
InChIKeyNUBYDYLDEMTZEQ-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.57
Rot. Bonds7

About methyl 6-trimethylsilyloxyhexanoate

methyl 6-trimethylsilyloxyhexanoate (PubChem CID 91696355) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is methyl 6-trimethylsilyloxyhexanoate.

Molecular Properties

Compound Namemethyl 6-trimethylsilyloxyhexanoate
PubChem CID91696355
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Namemethyl 6-trimethylsilyloxyhexanoate
SMILESCOC(=O)CCCCCO[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-12-10(11)8-6-5-7-9-13-14(2,3)4/h5-9H2,1-4H3
InChIKeyNUBYDYLDEMTZEQ-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(trimethylsilyl) adipate
CID 87457
6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
Hexanoic acid, trimethylsilyl ester
CID 518907
Trimethylsilyl heptanoate
CID 529222
Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Butyl triethylsilyl acetate
CID 125473299
Methyl 6-methoxyhexanoate
CID 357793
(Trimethylsilyl)methyl pentanoate
CID 91696722
Ethyl 2-trimethylsilylheptanoate
CID 14984231
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
CID 13320647

Frequently Asked Questions

What is the IUPAC name of methyl 6-trimethylsilyloxyhexanoate?
The IUPAC name of methyl 6-trimethylsilyloxyhexanoate (CID 91696355) is methyl 6-trimethylsilyloxyhexanoate.
What is the SMILES notation for methyl 6-trimethylsilyloxyhexanoate?
The canonical SMILES for methyl 6-trimethylsilyloxyhexanoate is COC(=O)CCCCCO[Si](C)(C)C.
What is the InChIKey of methyl 6-trimethylsilyloxyhexanoate?
The InChIKey is NUBYDYLDEMTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-12-10(11)8-6-5-7-9-13-14(2,3)4/h5-9H2,1-4H3.
What are the key properties of methyl 6-trimethylsilyloxyhexanoate?
methyl 6-trimethylsilyloxyhexanoate has a molecular weight of 218.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-trimethylsilyloxyhexanoate is sourced from PubChem (CID 91696355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).