2-dodecoxythiophene

C16H28OS — CID 19760673

IUPAC2-dodecoxythiophene
SMILESCCCCCCCCCCCCOc1cccs1
InChIInChI=1S/C16H28OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-16-13-12-15-18-16/h12-13,15H,2-11,14H2,1H3
InChIKeyONAAFLGGIVAPCF-UHFFFAOYSA-N
MW268.47 g/mol
LogP6.05
Rot. Bonds12

About 2-dodecoxythiophene

2-dodecoxythiophene (PubChem CID 19760673) has the molecular formula C16H28OS and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-dodecoxythiophene.

Molecular Properties

Compound Name2-dodecoxythiophene
PubChem CID19760673
Molecular FormulaC16H28OS
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-dodecoxythiophene
SMILESCCCCCCCCCCCCOc1cccs1
InChIInChI=1S/C16H28OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-16-13-12-15-18-16/h12-13,15H,2-11,14H2,1H3
InChIKeyONAAFLGGIVAPCF-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.47
LogP ≤ 56.05
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-dodecoxythiophene?
The IUPAC name of 2-dodecoxythiophene (CID 19760673) is 2-dodecoxythiophene.
What is the SMILES notation for 2-dodecoxythiophene?
The canonical SMILES for 2-dodecoxythiophene is CCCCCCCCCCCCOc1cccs1.
What is the InChIKey of 2-dodecoxythiophene?
The InChIKey is ONAAFLGGIVAPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-16-13-12-15-18-16/h12-13,15H,2-11,14H2,1H3.
What are the key properties of 2-dodecoxythiophene?
2-dodecoxythiophene has a molecular weight of 268.47 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxythiophene is sourced from PubChem (CID 19760673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).