3-octyl-2-(3-octylthiophen-2-yl)thiophene

C24H38S2 — CID 11486115

IUPAC3-octyl-2-(3-octylthiophen-2-yl)thiophene
SMILESCCCCCCCCc1ccsc1-c1sccc1CCCCCCCC
InChIInChI=1S/C24H38S2/c1-3-5-7-9-11-13-15-21-17-19-25-23(21)24-22(18-20-26-24)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyNUKWQYRYPHRJSO-UHFFFAOYSA-N
MW390.70 g/mol
LogP9.28
Rot. Bonds15

About 3-octyl-2-(3-octylthiophen-2-yl)thiophene

3-octyl-2-(3-octylthiophen-2-yl)thiophene (PubChem CID 11486115) has the molecular formula C24H38S2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 3-octyl-2-(3-octylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-octyl-2-(3-octylthiophen-2-yl)thiophene
PubChem CID11486115
Molecular FormulaC24H38S2
Molecular Weight390.70 g/mol
Exact Mass390.24
IUPAC Name3-octyl-2-(3-octylthiophen-2-yl)thiophene
SMILESCCCCCCCCc1ccsc1-c1sccc1CCCCCCCC
InChIInChI=1S/C24H38S2/c1-3-5-7-9-11-13-15-21-17-19-25-23(21)24-22(18-20-26-24)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyNUKWQYRYPHRJSO-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 59.28
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-octyl-2-(3-octylthiophen-2-yl)thiophene?
The IUPAC name of 3-octyl-2-(3-octylthiophen-2-yl)thiophene (CID 11486115) is 3-octyl-2-(3-octylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-octyl-2-(3-octylthiophen-2-yl)thiophene?
The canonical SMILES for 3-octyl-2-(3-octylthiophen-2-yl)thiophene is CCCCCCCCc1ccsc1-c1sccc1CCCCCCCC.
What is the InChIKey of 3-octyl-2-(3-octylthiophen-2-yl)thiophene?
The InChIKey is NUKWQYRYPHRJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38S2/c1-3-5-7-9-11-13-15-21-17-19-25-23(21)24-22(18-20-26-24)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 3-octyl-2-(3-octylthiophen-2-yl)thiophene?
3-octyl-2-(3-octylthiophen-2-yl)thiophene has a molecular weight of 390.70 g/mol, XLogP of 9.28, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-2-(3-octylthiophen-2-yl)thiophene is sourced from PubChem (CID 11486115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).