5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol

C20H26O3Si — CID 89273980

IUPAC5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)23-19-10-8-15(9-11-19)6-7-16-12-17(21)14-18(22)13-16/h6-14,21-22H,1-5H3/b7-6+
InChIKeyUTRBLHQQSTZLQZ-VOTSOKGWSA-N
MW342.51 g/mol
LogP5.65
Rot. Bonds4

About 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol

5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol (PubChem CID 89273980) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol
PubChem CID89273980
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)23-19-10-8-15(9-11-19)6-7-16-12-17(21)14-18(22)13-16/h6-14,21-22H,1-5H3/b7-6+
InChIKeyUTRBLHQQSTZLQZ-VOTSOKGWSA-N
XLogP5.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
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 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol (CID 89273980) is 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol is CC(C)(C)[Si](C)(C)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol?
The InChIKey is UTRBLHQQSTZLQZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)23-19-10-8-15(9-11-19)6-7-16-12-17(21)14-18(22)13-16/h6-14,21-22H,1-5H3/b7-6+.
What are the key properties of 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol?
5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol has a molecular weight of 342.51 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]benzene-1,3-diol is sourced from PubChem (CID 89273980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).