3-undecylthiophene

C15H26S — CID 566841

IUPAC3-undecylthiophene
SMILESCCCCCCCCCCCc1ccsc1
InChIInChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3
InChIKeySTIIRMZYURVVGK-UHFFFAOYSA-N
MW238.44 g/mol
LogP5.82
Rot. Bonds10

About 3-undecylthiophene

3-undecylthiophene (PubChem CID 566841) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is 3-undecylthiophene.

Molecular Properties

Compound Name3-undecylthiophene
PubChem CID566841
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name3-undecylthiophene
SMILESCCCCCCCCCCCc1ccsc1
InChIInChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3
InChIKeySTIIRMZYURVVGK-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylthiophene
CID 74530
3-Butylthiophene
CID 566339
3,4-Diethylthiophene
CID 520753
3-Hexadecylthiophene
CID 2769638
2-Bromo-3-Dodecylthiophene
CID 10426816
2-Bromo-3-n-octylthiophene
CID 10754854
2-Bromo-3-hexylthiophene
CID 10960141
2-Bromo-3-butylthiophene
CID 15354891
3-Propylthiophene
CID 519073
3-(4-Methylpent-3-enyl)thiophene
CID 566107
2-(2-Methylpropyl)thiophene
CID 566432
3-Hexylthiophene
CID 566849

Frequently Asked Questions

What is the IUPAC name of 3-undecylthiophene?
The IUPAC name of 3-undecylthiophene (CID 566841) is 3-undecylthiophene.
What is the SMILES notation for 3-undecylthiophene?
The canonical SMILES for 3-undecylthiophene is CCCCCCCCCCCc1ccsc1.
What is the InChIKey of 3-undecylthiophene?
The InChIKey is STIIRMZYURVVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26S/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3.
What are the key properties of 3-undecylthiophene?
3-undecylthiophene has a molecular weight of 238.44 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecylthiophene is sourced from PubChem (CID 566841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).