methyl 2-phenyl-3-trimethylsilyloxypropanoate

C13H20O3Si — CID 552740

IUPACmethyl 2-phenyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(CO[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-15-13(14)12(10-16-17(2,3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeySANSFUBHFYLXQR-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-phenyl-3-trimethylsilyloxypropanoate

methyl 2-phenyl-3-trimethylsilyloxypropanoate (PubChem CID 552740) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is methyl 2-phenyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-trimethylsilyloxypropanoate
PubChem CID552740
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Namemethyl 2-phenyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(CO[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-15-13(14)12(10-16-17(2,3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeySANSFUBHFYLXQR-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.79
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 (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 3-phenoxy-2-pyridin-4-ylpropanoate
CID 117246578
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
methyl 2-phenylheptanoate
CID 143443478
methyl 2-phenylhex-4-enoate
CID 141185877
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl 2-phenyl-3-trimethylsilyloxypropanoate (CID 552740) is methyl 2-phenyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl 2-phenyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl 2-phenyl-3-trimethylsilyloxypropanoate is COC(=O)C(CO[Si](C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-3-trimethylsilyloxypropanoate?
The InChIKey is SANSFUBHFYLXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-15-13(14)12(10-16-17(2,3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3.
What are the key properties of methyl 2-phenyl-3-trimethylsilyloxypropanoate?
methyl 2-phenyl-3-trimethylsilyloxypropanoate has a molecular weight of 252.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 552740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).