4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol

C26H40O3Si2 — CID 147439577

IUPAC4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol
SMILESCC[Si](CC)(CC)Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](CC)(CC)CC)c1
InChIInChI=1S/C26H40O3Si2/c1-7-30(8-2,9-3)28-25-19-23(14-13-22-15-17-24(27)18-16-22)20-26(21-25)29-31(10-4,11-5)12-6/h13-21,27H,7-12H2,1-6H3/b14-13+
InChIKeyDVYQNKBLEJHPBH-BUHFOSPRSA-N
MW456.78 g/mol
LogP8.33
Rot. Bonds12

About 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol

4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol (PubChem CID 147439577) has the molecular formula C26H40O3Si2 and a molecular weight of 456.78 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol
PubChem CID147439577
Molecular FormulaC26H40O3Si2
Molecular Weight456.78 g/mol
Exact Mass456.25
IUPAC Name4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol
SMILESCC[Si](CC)(CC)Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](CC)(CC)CC)c1
InChIInChI=1S/C26H40O3Si2/c1-7-30(8-2,9-3)28-25-19-23(14-13-22-15-17-24(27)18-16-22)20-26(21-25)29-31(10-4,11-5)12-6/h13-21,27H,7-12H2,1-6H3/b14-13+
InChIKeyDVYQNKBLEJHPBH-BUHFOSPRSA-N
XLogP8.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol (CID 147439577) is 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol is CC[Si](CC)(CC)Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](CC)(CC)CC)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol?
The InChIKey is DVYQNKBLEJHPBH-BUHFOSPRSA-N. The full InChI is InChI=1S/C26H40O3Si2/c1-7-30(8-2,9-3)28-25-19-23(14-13-22-15-17-24(27)18-16-22)20-26(21-25)29-31(10-4,11-5)12-6/h13-21,27H,7-12H2,1-6H3/b14-13+.
What are the key properties of 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol?
4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol has a molecular weight of 456.78 g/mol, XLogP of 8.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis(triethylsilyloxy)phenyl]ethenyl]phenol is sourced from PubChem (CID 147439577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).