2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene

C18H18S3 — CID 5378289

IUPAC2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCCCC/C=C/c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C18H18S3/c1-2-3-4-5-7-14-9-10-17(20-14)18-12-11-16(21-18)15-8-6-13-19-15/h5-13H,2-4H2,1H3/b7-5+
InChIKeyQCESMOHHEDZGQH-FNORWQNLSA-N
MW330.54 g/mol
LogP7.41
Rot. Bonds6

About 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene

2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 5378289) has the molecular formula C18H18S3 and a molecular weight of 330.54 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
PubChem CID5378289
Molecular FormulaC18H18S3
Molecular Weight330.54 g/mol
Exact Mass330.06
IUPAC Name2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCCCC/C=C/c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C18H18S3/c1-2-3-4-5-7-14-9-10-17(20-14)18-12-11-16(21-18)15-8-6-13-19-15/h5-13H,2-4H2,1H3/b7-5+
InChIKeyQCESMOHHEDZGQH-FNORWQNLSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (CID 5378289) is 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is CCCC/C=C/c1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is QCESMOHHEDZGQH-FNORWQNLSA-N. The full InChI is InChI=1S/C18H18S3/c1-2-3-4-5-7-14-9-10-17(20-14)18-12-11-16(21-18)15-8-6-13-19-15/h5-13H,2-4H2,1H3/b7-5+.
What are the key properties of 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 330.54 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 5378289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).