4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol

C26H40O3Si2 — CID 46855975

IUPAC4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)28-23-17-21(12-11-20-13-15-22(27)16-14-20)18-24(19-23)29-31(9,10)26(4,5)6/h11-19,27H,1-10H3/b12-11+
InChIKeyJZJYQWCRCCWOPD-VAWYXSNFSA-N
MW456.78 g/mol
LogP8.33
Rot. Bonds6

About 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol

4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol (PubChem CID 46855975) has the molecular formula C26H40O3Si2 and a molecular weight of 456.78 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol
PubChem CID46855975
Molecular FormulaC26H40O3Si2
Molecular Weight456.78 g/mol
Exact Mass456.25
IUPAC Name4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)28-23-17-21(12-11-20-13-15-22(27)16-14-20)18-24(19-23)29-31(9,10)26(4,5)6/h11-19,27H,1-10H3/b12-11+
InChIKeyJZJYQWCRCCWOPD-VAWYXSNFSA-N
XLogP8.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol (CID 46855975) is 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol is CC(C)(C)[Si](C)(C)Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol?
The InChIKey is JZJYQWCRCCWOPD-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)28-23-17-21(12-11-20-13-15-22(27)16-14-20)18-24(19-23)29-31(9,10)26(4,5)6/h11-19,27H,1-10H3/b12-11+.
What are the key properties of 4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol?
4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol has a molecular weight of 456.78 g/mol, XLogP of 8.33, 6 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[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenol is sourced from PubChem (CID 46855975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).