2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene

C18H24S2 — CID 59141205

IUPAC2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
SMILESCCCCCCCCc1ccc(/C=C/c2cccs2)s1
InChIInChI=1S/C18H24S2/c1-2-3-4-5-6-7-9-17-13-14-18(20-17)12-11-16-10-8-15-19-16/h8,10-15H,2-7,9H2,1H3/b12-11+
InChIKeyJQTSHCWOSFOOMV-VAWYXSNFSA-N
MW304.52 g/mol
LogP6.88
Rot. Bonds9

About 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene

2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene (PubChem CID 59141205) has the molecular formula C18H24S2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene.

Molecular Properties

Compound Name2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
PubChem CID59141205
Molecular FormulaC18H24S2
Molecular Weight304.52 g/mol
Exact Mass304.13
IUPAC Name2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
SMILESCCCCCCCCc1ccc(/C=C/c2cccs2)s1
InChIInChI=1S/C18H24S2/c1-2-3-4-5-6-7-9-17-13-14-18(20-17)12-11-16-10-8-15-19-16/h8,10-15H,2-7,9H2,1H3/b12-11+
InChIKeyJQTSHCWOSFOOMV-VAWYXSNFSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.88
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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Related Compounds

2,5-bis[(1E,3E)-4-(5-hexylthiophen-2-yl)buta-1,3-dienyl]thiophene
CID 11049619
3-octyl-2-[(E)-2-[3-octyl-5-[(E)-2-[4-octyl-5-[(E)-2-[3-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]ethenyl]-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 102063392
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
2-ethenyl-5-hexylthiophene
CID 102047565
2,5-diheptylthiophene
CID 607114
methane;2-undecylthiophene
CID 175504380
[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine
CID 144597145
ethane;2-pentylthiophene
CID 143883800
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
2-dodecyl-5-ethylthiophene
CID 528251
(3Z,6Z)-3,6-bis[(5-hexylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156869
(3Z,6Z)-3,6-bis[(5-octylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156859

Frequently Asked Questions

What is the IUPAC name of 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene?
The IUPAC name of 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene (CID 59141205) is 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene.
What is the SMILES notation for 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene?
The canonical SMILES for 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene is CCCCCCCCc1ccc(/C=C/c2cccs2)s1.
What is the InChIKey of 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene?
The InChIKey is JQTSHCWOSFOOMV-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H24S2/c1-2-3-4-5-6-7-9-17-13-14-18(20-17)12-11-16-10-8-15-19-16/h8,10-15H,2-7,9H2,1H3/b12-11+.
What are the key properties of 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene?
2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene has a molecular weight of 304.52 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene is sourced from PubChem (CID 59141205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).