[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate

C17H28O4Si — CID 163284398

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
SMILESCOC(COC(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(5,6)21-13-15(19-4)12-20-16(18)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
InChIKeyRDQNSYYKZBSMFT-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.88
Rot. Bonds7

About [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate

[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate (PubChem CID 163284398) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
PubChem CID163284398
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
SMILESCOC(COC(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(5,6)21-13-15(19-4)12-20-16(18)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
InChIKeyRDQNSYYKZBSMFT-UHFFFAOYSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.88
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

[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
CID 175572844
[5-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxypentyl] benzoate
CID 163284383
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
CID 67190343
[(Z)-4-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-enyl] benzoate
CID 122384126
[(2S,4R,5R)-2-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-oxo-5-phenylpentyl] benzoate
CID 101036712
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
CID 168819463
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutyl] benzoate
CID 11438668
benzhydryl (2S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 153349520

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate (CID 163284398) is [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate is COC(COC(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate?
The InChIKey is RDQNSYYKZBSMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-17(2,3)22(5,6)21-13-15(19-4)12-20-16(18)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate?
[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate has a molecular weight of 324.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate is sourced from PubChem (CID 163284398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).