methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate

C15H23ClO3Si — CID 10335827

IUPACmethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO3Si/c1-15(2,3)20(5,6)19-13(14(17)18-4)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3/t13-/m1/s1
InChIKeyUXSLJDMUMFADMV-CYBMUJFWSA-N
MW314.89 g/mol
LogP4.58
Rot. Bonds4

About methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate

methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate (PubChem CID 10335827) has the molecular formula C15H23ClO3Si and a molecular weight of 314.89 g/mol. Its IUPAC name is methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
PubChem CID10335827
Molecular FormulaC15H23ClO3Si
Molecular Weight314.89 g/mol
Exact Mass314.11
IUPAC Namemethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO3Si/c1-15(2,3)20(5,6)19-13(14(17)18-4)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3/t13-/m1/s1
InChIKeyUXSLJDMUMFADMV-CYBMUJFWSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.89
LogP ≤ 54.58
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

2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
methyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)hex-4-enoate
CID 10926723
methyl 2-(4-tert-butylphenoxy)-2-[4-(4-chlorophenoxy)phenyl]acetate
CID 12531845
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetonitrile
CID 10912974
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate
CID 11739619

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate?
The IUPAC name of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate (CID 10335827) is methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate is COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate?
The InChIKey is UXSLJDMUMFADMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23ClO3Si/c1-15(2,3)20(5,6)19-13(14(17)18-4)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate?
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate has a molecular weight of 314.89 g/mol, XLogP of 4.58, 4 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(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetate is sourced from PubChem (CID 10335827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).