[[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate

C9H21IO4Si2 — CID 623529

IUPAC[[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC[Si](C)(C)O[Si](C)(C)CI
InChIInChI=1S/C9H21IO4Si2/c1-8(11)9(12)13-7-16(4,5)14-15(2,3)6-10/h8,11H,6-7H2,1-5H3
InChIKeyLDUVCMGTZDVKON-UHFFFAOYSA-N
MW376.34 g/mol
LogP1.85
Rot. Bonds6

About [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate

[[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate (PubChem CID 623529) has the molecular formula C9H21IO4Si2 and a molecular weight of 376.34 g/mol. Its IUPAC name is [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate.

Molecular Properties

Compound Name[[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate
PubChem CID623529
Molecular FormulaC9H21IO4Si2
Molecular Weight376.34 g/mol
Exact Mass376.00
IUPAC Name[[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC[Si](C)(C)O[Si](C)(C)CI
InChIInChI=1S/C9H21IO4Si2/c1-8(11)9(12)13-7-16(4,5)14-15(2,3)6-10/h8,11H,6-7H2,1-5H3
InChIKeyLDUVCMGTZDVKON-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-hydroxy-3-triethylsilyloxypropanoate
CID 129403846
Methyl 2-hydroxy-3-triethylsilylpropanoate
CID 10921993
2-Hydroxypropionic acid (trimethylsilyl)-methylester
CID 13644708
trimethylsilylmethyl (2S)-2-hydroxypropanoate
CID 13644709
2-Hydroxypropionic acid (dimethyl-n-propyl-silyl)-methylester
CID 13827479
Curium;propan-2-yl 2-[2-[dihydroxymethyl-[dimethyl(trimethylsilyloxy)silyl]-lambda3-iodanyl]ethoxy]acetate
CID 58858704
3-[(2-Acetyloxyethyl-butyl-methylsilyl)oxy-dimethylsilyl]propyl 2-hydroxypropanoate
CID 89115863
[2-Hydroxypropanoylperoxy(dimethyl)silyl] 2-hydroxypropanoate
CID 140359599
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 157352463
methane;methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate
CID 157402832
[(2S)-2-hydroxypropyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 163289902
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoate;methyl (2R)-2-hydroxypropanoate
CID 164956999

Frequently Asked Questions

What is the IUPAC name of [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate?
The IUPAC name of [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate (CID 623529) is [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate.
What is the SMILES notation for [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate?
The canonical SMILES for [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate is CC(O)C(=O)OC[Si](C)(C)O[Si](C)(C)CI.
What is the InChIKey of [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate?
The InChIKey is LDUVCMGTZDVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21IO4Si2/c1-8(11)9(12)13-7-16(4,5)14-15(2,3)6-10/h8,11H,6-7H2,1-5H3.
What are the key properties of [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate?
[[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate has a molecular weight of 376.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[iodomethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 2-hydroxypropanoate is sourced from PubChem (CID 623529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).