[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate

C21H24O3Si — CID 5352723

IUPAC[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
SMILESC[Si](C)(C)Oc1ccc(/C=C/COC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H24O3Si/c1-25(2,3)24-20-14-11-19(12-15-20)10-7-17-23-21(22)16-13-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3/b10-7+,16-13+
InChIKeyRURNVJNXWGSXQM-NJKRNUQASA-N
MW352.51 g/mol
LogP5.17
Rot. Bonds7

About [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate

[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate (PubChem CID 5352723) has the molecular formula C21H24O3Si and a molecular weight of 352.51 g/mol. Its IUPAC name is [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
PubChem CID5352723
Molecular FormulaC21H24O3Si
Molecular Weight352.51 g/mol
Exact Mass352.15
IUPAC Name[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
SMILESC[Si](C)(C)Oc1ccc(/C=C/COC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H24O3Si/c1-25(2,3)24-20-14-11-19(12-15-20)10-7-17-23-21(22)16-13-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3/b10-7+,16-13+
InChIKeyRURNVJNXWGSXQM-NJKRNUQASA-N
XLogP5.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
[(E)-3-phenylprop-2-enyl] butanoate;[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
CID 174922543
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate
CID 56847084
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
bis(trimethylsilyl) 2-trimethylsilyloxy-3-[(Z)-3-(4-trimethylsilyloxyphenyl)prop-2-enoyl]oxybutanedioate
CID 91735402
[2-butanoyloxy-4-[(E)-3-oxo-3-[(E)-3-phenylprop-2-enoxy]prop-1-enyl]phenyl] butanoate
CID 56847145
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
methane;3-phenylprop-2-enyl acetate
CID 161251880
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate (CID 5352723) is [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate is C[Si](C)(C)Oc1ccc(/C=C/COC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate?
The InChIKey is RURNVJNXWGSXQM-NJKRNUQASA-N. The full InChI is InChI=1S/C21H24O3Si/c1-25(2,3)24-20-14-11-19(12-15-20)10-7-17-23-21(22)16-13-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3/b10-7+,16-13+.
What are the key properties of [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate?
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate has a molecular weight of 352.51 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5352723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).