[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane

C23H31BrOSi — CID 59310555

IUPAC[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(/C=C/c2ccc(Br)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H31BrOSi/c1-17(2)26(18(3)4,19(5)6)25-23-15-11-21(12-16-23)8-7-20-9-13-22(24)14-10-20/h7-19H,1-6H3/b8-7+
InChIKeyQSIRSOSQNVXLGE-BQYQJAHWSA-N
MW431.49 g/mol
LogP8.17
Rot. Bonds7

About [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane

[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane (PubChem CID 59310555) has the molecular formula C23H31BrOSi and a molecular weight of 431.49 g/mol. Its IUPAC name is [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
PubChem CID59310555
Molecular FormulaC23H31BrOSi
Molecular Weight431.49 g/mol
Exact Mass430.13
IUPAC Name[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(/C=C/c2ccc(Br)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H31BrOSi/c1-17(2)26(18(3)4,19(5)6)25-23-15-11-21(12-16-23)8-7-20-9-13-22(24)14-10-20/h7-19H,1-6H3/b8-7+
InChIKeyQSIRSOSQNVXLGE-BQYQJAHWSA-N
XLogP8.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane (CID 59310555) is [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1ccc(/C=C/c2ccc(Br)cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
The InChIKey is QSIRSOSQNVXLGE-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H31BrOSi/c1-17(2)26(18(3)4,19(5)6)25-23-15-11-21(12-16-23)8-7-20-9-13-22(24)14-10-20/h7-19H,1-6H3/b8-7+.
What are the key properties of [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane has a molecular weight of 431.49 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 59310555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).