3-hexyl-2-(4-hexylthiophen-2-yl)thiophene

C20H30S2 — CID 11348225

IUPAC3-hexyl-2-(4-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1csc(-c2sccc2CCCCCC)c1
InChIInChI=1S/C20H30S2/c1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyFWQMKAFKIYUBKB-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.72
Rot. Bonds11

About 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene

3-hexyl-2-(4-hexylthiophen-2-yl)thiophene (PubChem CID 11348225) has the molecular formula C20H30S2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-hexyl-2-(4-hexylthiophen-2-yl)thiophene
PubChem CID11348225
Molecular FormulaC20H30S2
Molecular Weight334.59 g/mol
Exact Mass334.18
IUPAC Name3-hexyl-2-(4-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1csc(-c2sccc2CCCCCC)c1
InChIInChI=1S/C20H30S2/c1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyFWQMKAFKIYUBKB-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene?
The IUPAC name of 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene (CID 11348225) is 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene?
The canonical SMILES for 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene is CCCCCCc1csc(-c2sccc2CCCCCC)c1.
What is the InChIKey of 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene?
The InChIKey is FWQMKAFKIYUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S2/c1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene?
3-hexyl-2-(4-hexylthiophen-2-yl)thiophene has a molecular weight of 334.59 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene is sourced from PubChem (CID 11348225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).