3-(10-methoxydecyl)thiophene

C15H26OS — CID 101050430

IUPAC3-(10-methoxydecyl)thiophene
SMILESCOCCCCCCCCCCc1ccsc1
InChIInChI=1S/C15H26OS/c1-16-12-9-7-5-3-2-4-6-8-10-15-11-13-17-14-15/h11,13-14H,2-10,12H2,1H3
InChIKeyJZTQQNJOVCOPFG-UHFFFAOYSA-N
MW254.44 g/mol
LogP5.06
Rot. Bonds11

About 3-(10-methoxydecyl)thiophene

3-(10-methoxydecyl)thiophene (PubChem CID 101050430) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-(10-methoxydecyl)thiophene.

Molecular Properties

Compound Name3-(10-methoxydecyl)thiophene
PubChem CID101050430
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name3-(10-methoxydecyl)thiophene
SMILESCOCCCCCCCCCCc1ccsc1
InChIInChI=1S/C15H26OS/c1-16-12-9-7-5-3-2-4-6-8-10-15-11-13-17-14-15/h11,13-14H,2-10,12H2,1H3
InChIKeyJZTQQNJOVCOPFG-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.44
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of 3-(10-methoxydecyl)thiophene?
The IUPAC name of 3-(10-methoxydecyl)thiophene (CID 101050430) is 3-(10-methoxydecyl)thiophene.
What is the SMILES notation for 3-(10-methoxydecyl)thiophene?
The canonical SMILES for 3-(10-methoxydecyl)thiophene is COCCCCCCCCCCc1ccsc1.
What is the InChIKey of 3-(10-methoxydecyl)thiophene?
The InChIKey is JZTQQNJOVCOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-16-12-9-7-5-3-2-4-6-8-10-15-11-13-17-14-15/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 3-(10-methoxydecyl)thiophene?
3-(10-methoxydecyl)thiophene has a molecular weight of 254.44 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methoxydecyl)thiophene is sourced from PubChem (CID 101050430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).