[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane

C19H27BrO3SSi — CID 59244133

IUPAC[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane
SMILESCCCCCCc1cc(-c2ccc([Si](OC)(OC)OC)cc2)sc1Br
InChIInChI=1S/C19H27BrO3SSi/c1-5-6-7-8-9-16-14-18(24-19(16)20)15-10-12-17(13-11-15)25(21-2,22-3)23-4/h10-14H,5-9H2,1-4H3
InChIKeyWWSMUBQYTBZUKL-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.39
Rot. Bonds10

About [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane

[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane (PubChem CID 59244133) has the molecular formula C19H27BrO3SSi and a molecular weight of 443.48 g/mol. Its IUPAC name is [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane
PubChem CID59244133
Molecular FormulaC19H27BrO3SSi
Molecular Weight443.48 g/mol
Exact Mass442.06
IUPAC Name[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane
SMILESCCCCCCc1cc(-c2ccc([Si](OC)(OC)OC)cc2)sc1Br
InChIInChI=1S/C19H27BrO3SSi/c1-5-6-7-8-9-16-14-18(24-19(16)20)15-10-12-17(13-11-15)25(21-2,22-3)23-4/h10-14H,5-9H2,1-4H3
InChIKeyWWSMUBQYTBZUKL-UHFFFAOYSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[6-(5-bromo-4-octylthiophen-2-yl)naphthalen-2-yl]-3-octylthiophene
CID 141251586
[4-[4-[5-[5-[3,5-diethyl-4-(4-octylphenyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]phenyl]-trimethoxysilane
CID 59027262
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
4,6-bis(5-bromo-4-hexylthiophen-2-yl)pyrimidine-2-carbonitrile
CID 132601077
5,8-bis(5-bromo-4-hexadecylthiophen-2-yl)-2,3-bis(4-octoxyphenyl)quinoxaline
CID 102130923
2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
CID 102205396
2-bromo-3-(5-bromo-4-hexylthiophen-2-yl)-5-iodothiophene
CID 132549369
2-bromo-3-dodecyl-5-(3-phenylthiophen-2-yl)thiophene
CID 11027364
2,6-bis(5-bromo-4-dodecylthiophen-2-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 90407301
2-bromo-5-[3-(5-bromo-4-hexylthiophen-2-yl)-5,5-dihexylbenzo[b][1]benzosilol-7-yl]-3-methylthiophene
CID 123709589
5-(5-bromo-4-icosylthiophen-2-yl)-7-(5-bromo-4-methylthiophen-2-yl)-2,3-di(icosyl)thieno[3,4-b]pyrazine
CID 89349036
4,10-bis(5-bromo-4-dodecylthiophen-2-yl)-5,9-didodecyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
CID 87158309

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane?
The IUPAC name of [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane (CID 59244133) is [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane.
What is the SMILES notation for [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane?
The canonical SMILES for [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane is CCCCCCc1cc(-c2ccc([Si](OC)(OC)OC)cc2)sc1Br.
What is the InChIKey of [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane?
The InChIKey is WWSMUBQYTBZUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrO3SSi/c1-5-6-7-8-9-16-14-18(24-19(16)20)15-10-12-17(13-11-15)25(21-2,22-3)23-4/h10-14H,5-9H2,1-4H3.
What are the key properties of [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane?
[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane has a molecular weight of 443.48 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane is sourced from PubChem (CID 59244133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).