methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate

C22H30O3Si — CID 53492893

IUPACmethyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
SMILESCC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C22H30O3Si/c1-6-18(21(23)24-5)17-25-26(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/t18-/m1/s1
InChIKeyQWASXBBLLWKLAS-GOSISDBHSA-N
MW370.57 g/mol
LogP3.76
Rot. Bonds7

About methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate

methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate (PubChem CID 53492893) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
PubChem CID53492893
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Namemethyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
SMILESCC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C22H30O3Si/c1-6-18(21(23)24-5)17-25-26(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/t18-/m1/s1
InChIKeyQWASXBBLLWKLAS-GOSISDBHSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate
CID 102212939
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate?
The IUPAC name of methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate (CID 53492893) is methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate.
What is the SMILES notation for methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate?
The canonical SMILES for methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate is CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate?
The InChIKey is QWASXBBLLWKLAS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-6-18(21(23)24-5)17-25-26(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate?
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate has a molecular weight of 370.57 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate is sourced from PubChem (CID 53492893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).