methyl 6-hydroxy-6-trimethylsilylhexanoate

C10H22O3Si — CID 10536825

IUPACmethyl 6-hydroxy-6-trimethylsilylhexanoate
SMILESCOC(=O)CCCCC(O)[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-13-9(11)7-5-6-8-10(12)14(2,3)4/h10,12H,5-8H2,1-4H3
InChIKeyFWFYOTQIOBPGQP-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.96
Rot. Bonds6

About methyl 6-hydroxy-6-trimethylsilylhexanoate

methyl 6-hydroxy-6-trimethylsilylhexanoate (PubChem CID 10536825) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is methyl 6-hydroxy-6-trimethylsilylhexanoate.

Molecular Properties

Compound Namemethyl 6-hydroxy-6-trimethylsilylhexanoate
PubChem CID10536825
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Namemethyl 6-hydroxy-6-trimethylsilylhexanoate
SMILESCOC(=O)CCCCC(O)[Si](C)(C)C
InChIInChI=1S/C10H22O3Si/c1-13-9(11)7-5-6-8-10(12)14(2,3)4/h10,12H,5-8H2,1-4H3
InChIKeyFWFYOTQIOBPGQP-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
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

Ethyl 6-hydroxyhexanoate
CID 357781
6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
Butyl 6-hydroxyhexanoate
CID 22352249
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Propyl 6-hydroxyhexanoate
CID 18356472
(Trimethylsilyl)methyl hexanoate
CID 91696741
Ethyl 2-trimethylsilylhexanoate
CID 12464153
6-Tri(propan-2-yl)silyloxyhexanoic acid
CID 86087422
6-(Trimethylsilyl)hexanoic acid
CID 262866
6-[Tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
2-Trimethylsilylhexanoic acid
CID 12218620
Methyl 6-[(trimethylsilyl)oxy]hexanoate
CID 91696355

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-6-trimethylsilylhexanoate?
The IUPAC name of methyl 6-hydroxy-6-trimethylsilylhexanoate (CID 10536825) is methyl 6-hydroxy-6-trimethylsilylhexanoate.
What is the SMILES notation for methyl 6-hydroxy-6-trimethylsilylhexanoate?
The canonical SMILES for methyl 6-hydroxy-6-trimethylsilylhexanoate is COC(=O)CCCCC(O)[Si](C)(C)C.
What is the InChIKey of methyl 6-hydroxy-6-trimethylsilylhexanoate?
The InChIKey is FWFYOTQIOBPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-13-9(11)7-5-6-8-10(12)14(2,3)4/h10,12H,5-8H2,1-4H3.
What are the key properties of methyl 6-hydroxy-6-trimethylsilylhexanoate?
methyl 6-hydroxy-6-trimethylsilylhexanoate has a molecular weight of 218.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-6-trimethylsilylhexanoate is sourced from PubChem (CID 10536825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).