2-(2-phenylethylsilyloxy)ethyl propanoate

C13H20O3Si — CID 154195963

IUPAC2-(2-phenylethylsilyloxy)ethyl propanoate
SMILESCCC(=O)OCCO[SiH2]CCc1ccccc1
InChIInChI=1S/C13H20O3Si/c1-2-13(14)15-9-10-16-17-11-8-12-6-4-3-5-7-12/h3-7H,2,8-11,17H2,1H3
InChIKeyPMXDHLAPWGKMCF-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.70
Rot. Bonds8

About 2-(2-phenylethylsilyloxy)ethyl propanoate

2-(2-phenylethylsilyloxy)ethyl propanoate (PubChem CID 154195963) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-(2-phenylethylsilyloxy)ethyl propanoate.

Molecular Properties

Compound Name2-(2-phenylethylsilyloxy)ethyl propanoate
PubChem CID154195963
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Name2-(2-phenylethylsilyloxy)ethyl propanoate
SMILESCCC(=O)OCCO[SiH2]CCc1ccccc1
InChIInChI=1S/C13H20O3Si/c1-2-13(14)15-9-10-16-17-11-8-12-6-4-3-5-7-12/h3-7H,2,8-11,17H2,1H3
InChIKeyPMXDHLAPWGKMCF-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-phenylethylsilyloxy)ethyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylethylamino)propyl propanoate
CID 82532105
2-phenylethylsilyl acetate
CID 175587569
benzyl propanoate;hydrochloride
CID 140986165
2-(benzylamino)ethyl propanoate
CID 10988499
benzyl propanoate;butyl propanoate
CID 19966788
propanoyl 3-phenylpropanoate
CID 19437711
benzyl 4-propanoyloxybutanoate
CID 163613543
methanamine;1-phenylpentan-3-one
CID 167492251
4-phenylbutyl butanoate
CID 59678642
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsilyloxy)ethyl propanoate?
The IUPAC name of 2-(2-phenylethylsilyloxy)ethyl propanoate (CID 154195963) is 2-(2-phenylethylsilyloxy)ethyl propanoate.
What is the SMILES notation for 2-(2-phenylethylsilyloxy)ethyl propanoate?
The canonical SMILES for 2-(2-phenylethylsilyloxy)ethyl propanoate is CCC(=O)OCCO[SiH2]CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylsilyloxy)ethyl propanoate?
The InChIKey is PMXDHLAPWGKMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-2-13(14)15-9-10-16-17-11-8-12-6-4-3-5-7-12/h3-7H,2,8-11,17H2,1H3.
What are the key properties of 2-(2-phenylethylsilyloxy)ethyl propanoate?
2-(2-phenylethylsilyloxy)ethyl propanoate has a molecular weight of 252.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsilyloxy)ethyl propanoate is sourced from PubChem (CID 154195963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).