[3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane

C18H29BrOSi — CID 46238499

IUPAC[3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane
SMILESC=Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1CBr
InChIInChI=1S/C18H29BrOSi/c1-8-16-9-10-18(11-17(16)12-19)20-21(13(2)3,14(4)5)15(6)7/h8-11,13-15H,1,12H2,2-7H3
InChIKeyXLQDQQRYUBOWKY-UHFFFAOYSA-N
MW369.42 g/mol
LogP6.78
Rot. Bonds7

About [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane

[3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane (PubChem CID 46238499) has the molecular formula C18H29BrOSi and a molecular weight of 369.42 g/mol. Its IUPAC name is [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane
PubChem CID46238499
Molecular FormulaC18H29BrOSi
Molecular Weight369.42 g/mol
Exact Mass368.12
IUPAC Name[3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane
SMILESC=Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1CBr
InChIInChI=1S/C18H29BrOSi/c1-8-16-9-10-18(11-17(16)12-19)20-21(13(2)3,14(4)5)15(6)7/h8-11,13-15H,1,12H2,2-7H3
InChIKeyXLQDQQRYUBOWKY-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane (CID 46238499) is [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane is C=Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1CBr.
What is the InChIKey of [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane?
The InChIKey is XLQDQQRYUBOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrOSi/c1-8-16-9-10-18(11-17(16)12-19)20-21(13(2)3,14(4)5)15(6)7/h8-11,13-15H,1,12H2,2-7H3.
What are the key properties of [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane?
[3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane has a molecular weight of 369.42 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-4-ethenylphenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 46238499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).