methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

C17H28O3Si — CID 58567239

IUPACmethyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)[C@@H](O[Si](C)(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H28O3Si/c1-12-9-13(2)11-14(10-12)15(20-21(6,7)8)17(3,4)16(18)19-5/h9-11,15H,1-8H3/t15-/m0/s1
InChIKeyGJBVMLQMNXMLPC-HNNXBMFYSA-N
MW308.49 g/mol
LogP4.40
Rot. Bonds5

About methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (PubChem CID 58567239) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
PubChem CID58567239
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Namemethyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)[C@@H](O[Si](C)(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H28O3Si/c1-12-9-13(2)11-14(10-12)15(20-21(6,7)8)17(3,4)16(18)19-5/h9-11,15H,1-8H3/t15-/m0/s1
InChIKeyGJBVMLQMNXMLPC-HNNXBMFYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (CID 58567239) is methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is COC(=O)C(C)(C)[C@@H](O[Si](C)(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The InChIKey is GJBVMLQMNXMLPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-12-9-13(2)11-14(10-12)15(20-21(6,7)8)17(3,4)16(18)19-5/h9-11,15H,1-8H3/t15-/m0/s1.
What are the key properties of methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate has a molecular weight of 308.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(3,5-dimethylphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 58567239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).