3-(6-methoxyhexyl)thiophene

C11H18OS — CID 69332781

IUPAC3-(6-methoxyhexyl)thiophene
SMILESCOCCCCCCc1ccsc1
InChIInChI=1S/C11H18OS/c1-12-8-5-3-2-4-6-11-7-9-13-10-11/h7,9-10H,2-6,8H2,1H3
InChIKeyKOODXXRCMMFVEQ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.50
Rot. Bonds7

About 3-(6-methoxyhexyl)thiophene

3-(6-methoxyhexyl)thiophene (PubChem CID 69332781) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-(6-methoxyhexyl)thiophene.

Molecular Properties

Compound Name3-(6-methoxyhexyl)thiophene
PubChem CID69332781
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-(6-methoxyhexyl)thiophene
SMILESCOCCCCCCc1ccsc1
InChIInChI=1S/C11H18OS/c1-12-8-5-3-2-4-6-11-7-9-13-10-11/h7,9-10H,2-6,8H2,1H3
InChIKeyKOODXXRCMMFVEQ-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(6-methoxyhexyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyhexyl)thiophene?
The IUPAC name of 3-(6-methoxyhexyl)thiophene (CID 69332781) is 3-(6-methoxyhexyl)thiophene.
What is the SMILES notation for 3-(6-methoxyhexyl)thiophene?
The canonical SMILES for 3-(6-methoxyhexyl)thiophene is COCCCCCCc1ccsc1.
What is the InChIKey of 3-(6-methoxyhexyl)thiophene?
The InChIKey is KOODXXRCMMFVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-12-8-5-3-2-4-6-11-7-9-13-10-11/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 3-(6-methoxyhexyl)thiophene?
3-(6-methoxyhexyl)thiophene has a molecular weight of 198.33 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyhexyl)thiophene is sourced from PubChem (CID 69332781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).