2-ethyl-3-octadecoxythiophene

C24H44OS — CID 91523496

IUPAC2-ethyl-3-octadecoxythiophene
SMILESCCCCCCCCCCCCCCCCCCOc1ccsc1CC
InChIInChI=1S/C24H44OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-20-22-26-24(23)4-2/h20,22H,3-19,21H2,1-2H3
InChIKeyRWGOKGGAXBZIDV-UHFFFAOYSA-N
MW380.68 g/mol
LogP8.95
Rot. Bonds19

About 2-ethyl-3-octadecoxythiophene

2-ethyl-3-octadecoxythiophene (PubChem CID 91523496) has the molecular formula C24H44OS and a molecular weight of 380.68 g/mol. Its IUPAC name is 2-ethyl-3-octadecoxythiophene.

Molecular Properties

Compound Name2-ethyl-3-octadecoxythiophene
PubChem CID91523496
Molecular FormulaC24H44OS
Molecular Weight380.68 g/mol
Exact Mass380.31
IUPAC Name2-ethyl-3-octadecoxythiophene
SMILESCCCCCCCCCCCCCCCCCCOc1ccsc1CC
InChIInChI=1S/C24H44OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-20-22-26-24(23)4-2/h20,22H,3-19,21H2,1-2H3
InChIKeyRWGOKGGAXBZIDV-UHFFFAOYSA-N
XLogP8.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 58.95
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-ethyl-3-propoxythiophene
CID 138534180
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CID 91356993
2-ethenyl-3-hexoxythiophene
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2-bromo-3-butoxythiophene
CID 90107659
3-hexoxy-2-[3-(3-hexoxythiophen-2-yl)azulen-1-yl]thiophene
CID 86064294
2-(2,6-dioctoxyphenyl)thiophene
CID 129070444
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
1,4,5,8-tetrahexoxyanthracene
CID 101142141
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-ethyl-2-heptoxybenzene
CID 22723794
2-octoxythiophene
CID 66725658
2-hexoxythiophene
CID 14473225

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-octadecoxythiophene?
The IUPAC name of 2-ethyl-3-octadecoxythiophene (CID 91523496) is 2-ethyl-3-octadecoxythiophene.
What is the SMILES notation for 2-ethyl-3-octadecoxythiophene?
The canonical SMILES for 2-ethyl-3-octadecoxythiophene is CCCCCCCCCCCCCCCCCCOc1ccsc1CC.
What is the InChIKey of 2-ethyl-3-octadecoxythiophene?
The InChIKey is RWGOKGGAXBZIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-20-22-26-24(23)4-2/h20,22H,3-19,21H2,1-2H3.
What are the key properties of 2-ethyl-3-octadecoxythiophene?
2-ethyl-3-octadecoxythiophene has a molecular weight of 380.68 g/mol, XLogP of 8.95, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-octadecoxythiophene is sourced from PubChem (CID 91523496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).