5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde

C10H10O2S — CID 122241633

IUPAC5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C#CCCCO)s1
InChIInChI=1S/C10H10O2S/c11-7-3-1-2-4-9-5-6-10(8-12)13-9/h5-6,8,11H,1,3,7H2
InChIKeyXNANAGSLQCDKFY-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.68
Rot. Bonds3

About 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde

5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde (PubChem CID 122241633) has the molecular formula C10H10O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde
PubChem CID122241633
Molecular FormulaC10H10O2S
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C#CCCCO)s1
InChIInChI=1S/C10H10O2S/c11-7-3-1-2-4-9-5-6-10(8-12)13-9/h5-6,8,11H,1,3,7H2
InChIKeyXNANAGSLQCDKFY-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde (CID 122241633) is 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde is O=Cc1ccc(C#CCCCO)s1.
What is the InChIKey of 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde?
The InChIKey is XNANAGSLQCDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-7-3-1-2-4-9-5-6-10(8-12)13-9/h5-6,8,11H,1,3,7H2.
What are the key properties of 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde?
5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde has a molecular weight of 194.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxypent-1-ynyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 122241633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).