3-butoxy-2-(3-butoxythiophen-2-yl)thiophene

C16H22O2S2 — CID 11141443

IUPAC3-butoxy-2-(3-butoxythiophen-2-yl)thiophene
SMILESCCCCOc1ccsc1-c1sccc1OCCCC
InChIInChI=1S/C16H22O2S2/c1-3-5-9-17-13-7-11-19-15(13)16-14(8-12-20-16)18-10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyYTFRTBBNUSOSEN-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.83
Rot. Bonds9

About 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene

3-butoxy-2-(3-butoxythiophen-2-yl)thiophene (PubChem CID 11141443) has the molecular formula C16H22O2S2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-butoxy-2-(3-butoxythiophen-2-yl)thiophene
PubChem CID11141443
Molecular FormulaC16H22O2S2
Molecular Weight310.48 g/mol
Exact Mass310.11
IUPAC Name3-butoxy-2-(3-butoxythiophen-2-yl)thiophene
SMILESCCCCOc1ccsc1-c1sccc1OCCCC
InChIInChI=1S/C16H22O2S2/c1-3-5-9-17-13-7-11-19-15(13)16-14(8-12-20-16)18-10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyYTFRTBBNUSOSEN-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butoxy-2-(3-butoxythiophen-2-yl)thiophene?
The IUPAC name of 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene (CID 11141443) is 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene.
What is the SMILES notation for 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene?
The canonical SMILES for 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene is CCCCOc1ccsc1-c1sccc1OCCCC.
What is the InChIKey of 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene?
The InChIKey is YTFRTBBNUSOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S2/c1-3-5-9-17-13-7-11-19-15(13)16-14(8-12-20-16)18-10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene?
3-butoxy-2-(3-butoxythiophen-2-yl)thiophene has a molecular weight of 310.48 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-(3-butoxythiophen-2-yl)thiophene is sourced from PubChem (CID 11141443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).