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

C20H26O3Si — CID 11638730

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)23-19-13-16(12-18(22)14-19)7-6-15-8-10-17(21)11-9-15/h6-14,21-22H,1-5H3/b7-6+
InChIKeyQZSCKTHKURECDO-VOTSOKGWSA-N
MW342.51 g/mol
LogP5.65
Rot. Bonds4

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

3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (PubChem CID 11638730) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
PubChem CID11638730
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)23-19-13-16(12-18(22)14-19)7-6-15-8-10-17(21)11-9-15/h6-14,21-22H,1-5H3/b7-6+
InChIKeyQZSCKTHKURECDO-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 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (CID 11638730) is 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is CC(C)(C)[Si](C)(C)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The InChIKey is QZSCKTHKURECDO-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)24(4,5)23-19-13-16(12-18(22)14-19)7-6-15-8-10-17(21)11-9-15/h6-14,21-22H,1-5H3/b7-6+.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol 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 3-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 11638730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).