5-butyl-3-methylthiophene-2-carbaldehyde

C10H14OS — CID 118228968

IUPAC5-butyl-3-methylthiophene-2-carbaldehyde
SMILESCCCCc1cc(C)c(C=O)s1
InChIInChI=1S/C10H14OS/c1-3-4-5-9-6-8(2)10(7-11)12-9/h6-7H,3-5H2,1-2H3
InChIKeyFNXJJAQPQPUVOT-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.21
Rot. Bonds4

About 5-butyl-3-methylthiophene-2-carbaldehyde

5-butyl-3-methylthiophene-2-carbaldehyde (PubChem CID 118228968) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-butyl-3-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-butyl-3-methylthiophene-2-carbaldehyde
PubChem CID118228968
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name5-butyl-3-methylthiophene-2-carbaldehyde
SMILESCCCCc1cc(C)c(C=O)s1
InChIInChI=1S/C10H14OS/c1-3-4-5-9-6-8(2)10(7-11)12-9/h6-7H,3-5H2,1-2H3
InChIKeyFNXJJAQPQPUVOT-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methylthiophene-2-carbaldehyde?
The IUPAC name of 5-butyl-3-methylthiophene-2-carbaldehyde (CID 118228968) is 5-butyl-3-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-butyl-3-methylthiophene-2-carbaldehyde?
The canonical SMILES for 5-butyl-3-methylthiophene-2-carbaldehyde is CCCCc1cc(C)c(C=O)s1.
What is the InChIKey of 5-butyl-3-methylthiophene-2-carbaldehyde?
The InChIKey is FNXJJAQPQPUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-4-5-9-6-8(2)10(7-11)12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-butyl-3-methylthiophene-2-carbaldehyde?
5-butyl-3-methylthiophene-2-carbaldehyde has a molecular weight of 182.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 118228968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).