3,4-dibutoxythiophene-2,5-dicarbaldehyde

C14H20O4S — CID 11119625

IUPAC3,4-dibutoxythiophene-2,5-dicarbaldehyde
SMILESCCCCOc1c(C=O)sc(C=O)c1OCCCC
InChIInChI=1S/C14H20O4S/c1-3-5-7-17-13-11(9-15)19-12(10-16)14(13)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyCLRZYGVCYABNSM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.73
Rot. Bonds10

About 3,4-dibutoxythiophene-2,5-dicarbaldehyde

3,4-dibutoxythiophene-2,5-dicarbaldehyde (PubChem CID 11119625) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3,4-dibutoxythiophene-2,5-dicarbaldehyde.

Molecular Properties

Compound Name3,4-dibutoxythiophene-2,5-dicarbaldehyde
PubChem CID11119625
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name3,4-dibutoxythiophene-2,5-dicarbaldehyde
SMILESCCCCOc1c(C=O)sc(C=O)c1OCCCC
InChIInChI=1S/C14H20O4S/c1-3-5-7-17-13-11(9-15)19-12(10-16)14(13)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyCLRZYGVCYABNSM-UHFFFAOYSA-N
XLogP3.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutoxythiophene-2,5-dicarbaldehyde?
The IUPAC name of 3,4-dibutoxythiophene-2,5-dicarbaldehyde (CID 11119625) is 3,4-dibutoxythiophene-2,5-dicarbaldehyde.
What is the SMILES notation for 3,4-dibutoxythiophene-2,5-dicarbaldehyde?
The canonical SMILES for 3,4-dibutoxythiophene-2,5-dicarbaldehyde is CCCCOc1c(C=O)sc(C=O)c1OCCCC.
What is the InChIKey of 3,4-dibutoxythiophene-2,5-dicarbaldehyde?
The InChIKey is CLRZYGVCYABNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-3-5-7-17-13-11(9-15)19-12(10-16)14(13)18-8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,4-dibutoxythiophene-2,5-dicarbaldehyde?
3,4-dibutoxythiophene-2,5-dicarbaldehyde has a molecular weight of 284.38 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutoxythiophene-2,5-dicarbaldehyde is sourced from PubChem (CID 11119625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).