2-trimethylsilylethyl 3-phenylpropanoate

C14H22O2Si — CID 102412991

IUPAC2-trimethylsilylethyl 3-phenylpropanoate
SMILESC[Si](C)(C)CCOC(=O)CCc1ccccc1
InChIInChI=1S/C14H22O2Si/c1-17(2,3)12-11-16-14(15)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyVSIQPAIPKJAXNF-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.50
Rot. Bonds6

About 2-trimethylsilylethyl 3-phenylpropanoate

2-trimethylsilylethyl 3-phenylpropanoate (PubChem CID 102412991) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-phenylpropanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-phenylpropanoate
PubChem CID102412991
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-trimethylsilylethyl 3-phenylpropanoate
SMILESC[Si](C)(C)CCOC(=O)CCc1ccccc1
InChIInChI=1S/C14H22O2Si/c1-17(2,3)12-11-16-14(15)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyVSIQPAIPKJAXNF-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
Phenethyl phenylacetate
CID 7601
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Iophendylate
CID 7458
Isoamyl phenylacetate
CID 7600
Methyl 3-phenylpropionate
CID 7643

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-phenylpropanoate?
The IUPAC name of 2-trimethylsilylethyl 3-phenylpropanoate (CID 102412991) is 2-trimethylsilylethyl 3-phenylpropanoate.
What is the SMILES notation for 2-trimethylsilylethyl 3-phenylpropanoate?
The canonical SMILES for 2-trimethylsilylethyl 3-phenylpropanoate is C[Si](C)(C)CCOC(=O)CCc1ccccc1.
What is the InChIKey of 2-trimethylsilylethyl 3-phenylpropanoate?
The InChIKey is VSIQPAIPKJAXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-17(2,3)12-11-16-14(15)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 3-phenylpropanoate?
2-trimethylsilylethyl 3-phenylpropanoate has a molecular weight of 250.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-phenylpropanoate is sourced from PubChem (CID 102412991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).