2-(8-methoxyoctyl)thiophene

C13H22OS — CID 139537837

IUPAC2-(8-methoxyoctyl)thiophene
SMILESCOCCCCCCCCc1cccs1
InChIInChI=1S/C13H22OS/c1-14-11-7-5-3-2-4-6-9-13-10-8-12-15-13/h8,10,12H,2-7,9,11H2,1H3
InChIKeyBTLLLYBAIRNJKX-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.28
Rot. Bonds9

About 2-(8-methoxyoctyl)thiophene

2-(8-methoxyoctyl)thiophene (PubChem CID 139537837) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-(8-methoxyoctyl)thiophene.

Molecular Properties

Compound Name2-(8-methoxyoctyl)thiophene
PubChem CID139537837
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-(8-methoxyoctyl)thiophene
SMILESCOCCCCCCCCc1cccs1
InChIInChI=1S/C13H22OS/c1-14-11-7-5-3-2-4-6-9-13-10-8-12-15-13/h8,10,12H,2-7,9,11H2,1H3
InChIKeyBTLLLYBAIRNJKX-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.28
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-pentoxypentyl)thiophene
CID 91586139
trimethoxy(5-thiophen-2-ylpentyl)silane
CID 139649685
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
CID 140913096
methane;2-undecylthiophene
CID 175504380
4-thiophen-2-ylbutyl methanesulfonate
CID 54434869
10-thiophen-2-yldecan-1-ol
CID 22992199
ethane;2-pentylthiophene
CID 143883800
20-thiophen-2-ylicosane-1-thiol
CID 15444594
2-(5-chloropentyl)thiophene
CID 4912993
10-thiophen-2-yldecan-1-amine
CID 22115195
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111351434

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxyoctyl)thiophene?
The IUPAC name of 2-(8-methoxyoctyl)thiophene (CID 139537837) is 2-(8-methoxyoctyl)thiophene.
What is the SMILES notation for 2-(8-methoxyoctyl)thiophene?
The canonical SMILES for 2-(8-methoxyoctyl)thiophene is COCCCCCCCCc1cccs1.
What is the InChIKey of 2-(8-methoxyoctyl)thiophene?
The InChIKey is BTLLLYBAIRNJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-14-11-7-5-3-2-4-6-9-13-10-8-12-15-13/h8,10,12H,2-7,9,11H2,1H3.
What are the key properties of 2-(8-methoxyoctyl)thiophene?
2-(8-methoxyoctyl)thiophene has a molecular weight of 226.38 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxyoctyl)thiophene is sourced from PubChem (CID 139537837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).