2-tetradecoxythiophene

C18H32OS — CID 21450453

IUPAC2-tetradecoxythiophene
SMILESCCCCCCCCCCCCCCOc1cccs1
InChIInChI=1S/C18H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-18-15-14-17-20-18/h14-15,17H,2-13,16H2,1H3
InChIKeyUYZFTIMLICNMCC-UHFFFAOYSA-N
MW296.52 g/mol
LogP6.83
Rot. Bonds14

About 2-tetradecoxythiophene

2-tetradecoxythiophene (PubChem CID 21450453) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is 2-tetradecoxythiophene.

Molecular Properties

Compound Name2-tetradecoxythiophene
PubChem CID21450453
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name2-tetradecoxythiophene
SMILESCCCCCCCCCCCCCCOc1cccs1
InChIInChI=1S/C18H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-18-15-14-17-20-18/h14-15,17H,2-13,16H2,1H3
InChIKeyUYZFTIMLICNMCC-UHFFFAOYSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 56.83
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 2-tetradecoxythiophene?
The IUPAC name of 2-tetradecoxythiophene (CID 21450453) is 2-tetradecoxythiophene.
What is the SMILES notation for 2-tetradecoxythiophene?
The canonical SMILES for 2-tetradecoxythiophene is CCCCCCCCCCCCCCOc1cccs1.
What is the InChIKey of 2-tetradecoxythiophene?
The InChIKey is UYZFTIMLICNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-18-15-14-17-20-18/h14-15,17H,2-13,16H2,1H3.
What are the key properties of 2-tetradecoxythiophene?
2-tetradecoxythiophene has a molecular weight of 296.52 g/mol, XLogP of 6.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecoxythiophene is sourced from PubChem (CID 21450453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).