5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde

C19H26OS2 — CID 58892813

IUPAC5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESCCCCCCCCCCc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C19H26OS2/c1-2-3-4-5-6-7-8-9-10-16-11-13-18(21-16)19-14-12-17(15-20)22-19/h11-15H,2-10H2,1H3
InChIKeyRCHCNGATVZSEIA-UHFFFAOYSA-N
MW334.55 g/mol
LogP6.97
Rot. Bonds11

About 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde

5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde (PubChem CID 58892813) has the molecular formula C19H26OS2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde
PubChem CID58892813
Molecular FormulaC19H26OS2
Molecular Weight334.55 g/mol
Exact Mass334.14
IUPAC Name5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESCCCCCCCCCCc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C19H26OS2/c1-2-3-4-5-6-7-8-9-10-16-11-13-18(21-16)19-14-12-17(15-20)22-19/h11-15H,2-10H2,1H3
InChIKeyRCHCNGATVZSEIA-UHFFFAOYSA-N
XLogP6.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde (CID 58892813) is 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde is CCCCCCCCCCc1ccc(-c2ccc(C=O)s2)s1.
What is the InChIKey of 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde?
The InChIKey is RCHCNGATVZSEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26OS2/c1-2-3-4-5-6-7-8-9-10-16-11-13-18(21-16)19-14-12-17(15-20)22-19/h11-15H,2-10H2,1H3.
What are the key properties of 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde?
5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde has a molecular weight of 334.55 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-decylthiophen-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 58892813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).