3-decylthiophene

C14H24S — CID 566842

IUPAC3-decylthiophene
SMILESCCCCCCCCCCc1ccsc1
InChIInChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
InChIKeyJAYBIBLZTQMCAY-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.43
Rot. Bonds9

About 3-decylthiophene

3-decylthiophene (PubChem CID 566842) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 3-decylthiophene.

Molecular Properties

Compound Name3-decylthiophene
PubChem CID566842
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name3-decylthiophene
SMILESCCCCCCCCCCc1ccsc1
InChIInChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
InChIKeyJAYBIBLZTQMCAY-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.43
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-decylthiophene?
The IUPAC name of 3-decylthiophene (CID 566842) is 3-decylthiophene.
What is the SMILES notation for 3-decylthiophene?
The canonical SMILES for 3-decylthiophene is CCCCCCCCCCc1ccsc1.
What is the InChIKey of 3-decylthiophene?
The InChIKey is JAYBIBLZTQMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3.
What are the key properties of 3-decylthiophene?
3-decylthiophene has a molecular weight of 224.41 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylthiophene is sourced from PubChem (CID 566842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).