trimethylsilyl 3-phenylpropanoate

C12H18O2Si — CID 519856

IUPACtrimethylsilyl 3-phenylpropanoate
SMILESC[Si](C)(C)OC(=O)CCc1ccccc1
InChIInChI=1S/C12H18O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyGRONVOGSDOJOMG-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.00
Rot. Bonds4

About trimethylsilyl 3-phenylpropanoate

trimethylsilyl 3-phenylpropanoate (PubChem CID 519856) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is trimethylsilyl 3-phenylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-phenylpropanoate
PubChem CID519856
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Nametrimethylsilyl 3-phenylpropanoate
SMILESC[Si](C)(C)OC(=O)CCc1ccccc1
InChIInChI=1S/C12H18O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyGRONVOGSDOJOMG-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl 3-phenylpropanoate?
The IUPAC name of trimethylsilyl 3-phenylpropanoate (CID 519856) is trimethylsilyl 3-phenylpropanoate.
What is the SMILES notation for trimethylsilyl 3-phenylpropanoate?
The canonical SMILES for trimethylsilyl 3-phenylpropanoate is C[Si](C)(C)OC(=O)CCc1ccccc1.
What is the InChIKey of trimethylsilyl 3-phenylpropanoate?
The InChIKey is GRONVOGSDOJOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of trimethylsilyl 3-phenylpropanoate?
trimethylsilyl 3-phenylpropanoate has a molecular weight of 222.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-phenylpropanoate is sourced from PubChem (CID 519856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).