3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane

C22H33BrO3SSi — CID 102097847

IUPAC3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCc1ccc(-c2ccc(Br)s2)cc1)(OC(C)C)OC(C)C
InChIInChI=1S/C22H33BrO3SSi/c1-16(2)24-28(25-17(3)4,26-18(5)6)15-7-8-19-9-11-20(12-10-19)21-13-14-22(23)27-21/h9-14,16-18H,7-8,15H2,1-6H3
InChIKeyFYNFNFBEPPORQH-UHFFFAOYSA-N
MW485.56 g/mol
LogP7.32
Rot. Bonds11

About 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane

3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane (PubChem CID 102097847) has the molecular formula C22H33BrO3SSi and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane
PubChem CID102097847
Molecular FormulaC22H33BrO3SSi
Molecular Weight485.56 g/mol
Exact Mass484.11
IUPAC Name3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCc1ccc(-c2ccc(Br)s2)cc1)(OC(C)C)OC(C)C
InChIInChI=1S/C22H33BrO3SSi/c1-16(2)24-28(25-17(3)4,26-18(5)6)15-7-8-19-9-11-20(12-10-19)21-13-14-22(23)27-21/h9-14,16-18H,7-8,15H2,1-6H3
InChIKeyFYNFNFBEPPORQH-UHFFFAOYSA-N
XLogP7.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene
CID 174666233
3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
CID 102097840
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
CID 43363583
3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane
CID 59207297
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161
2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
CID 59488717
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226
methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane
CID 140710001

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane?
The IUPAC name of 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane (CID 102097847) is 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane is CC(C)O[Si](CCCc1ccc(-c2ccc(Br)s2)cc1)(OC(C)C)OC(C)C.
What is the InChIKey of 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane?
The InChIKey is FYNFNFBEPPORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BrO3SSi/c1-16(2)24-28(25-17(3)4,26-18(5)6)15-7-8-19-9-11-20(12-10-19)21-13-14-22(23)27-21/h9-14,16-18H,7-8,15H2,1-6H3.
What are the key properties of 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane?
3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane has a molecular weight of 485.56 g/mol, XLogP of 7.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 102097847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).