2,5-dibutylfuran-3-carbaldehyde

C13H20O2 — CID 135080458

IUPAC2,5-dibutylfuran-3-carbaldehyde
SMILESCCCCc1cc(C=O)c(CCCC)o1
InChIInChI=1S/C13H20O2/c1-3-5-7-12-9-11(10-14)13(15-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyYRSLKKCJQLNJGA-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.78
Rot. Bonds7

About 2,5-dibutylfuran-3-carbaldehyde

2,5-dibutylfuran-3-carbaldehyde (PubChem CID 135080458) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,5-dibutylfuran-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dibutylfuran-3-carbaldehyde
PubChem CID135080458
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,5-dibutylfuran-3-carbaldehyde
SMILESCCCCc1cc(C=O)c(CCCC)o1
InChIInChI=1S/C13H20O2/c1-3-5-7-12-9-11(10-14)13(15-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyYRSLKKCJQLNJGA-UHFFFAOYSA-N
XLogP3.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-propylfuran-3-carbaldehyde
CID 139709593
2-methyl-5-propylfuran-3-carbaldehyde
CID 150483674
2,3,5-triheptylfuran
CID 165157097
2-cyclopropyl-5-propylfuran-3-carbaldehyde
CID 165451232
4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
4-butyl-2,5-dihydroxybenzaldehyde
CID 174681209
5-bromo-2-ethylfuran-3-carbaldehyde
CID 82396999
3-butyl-2-iodobenzaldehyde
CID 90214471
5-butyl-2-fluorobenzaldehyde
CID 106659110
4-butyl-2-chlorobenzaldehyde
CID 106659115
5-butylthiophene-3-carbaldehyde
CID 91750489
3,4-dimethyl-5-pentylfuran-2-carbaldehyde
CID 12741721

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutylfuran-3-carbaldehyde?
The IUPAC name of 2,5-dibutylfuran-3-carbaldehyde (CID 135080458) is 2,5-dibutylfuran-3-carbaldehyde.
What is the SMILES notation for 2,5-dibutylfuran-3-carbaldehyde?
The canonical SMILES for 2,5-dibutylfuran-3-carbaldehyde is CCCCc1cc(C=O)c(CCCC)o1.
What is the InChIKey of 2,5-dibutylfuran-3-carbaldehyde?
The InChIKey is YRSLKKCJQLNJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-7-12-9-11(10-14)13(15-12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,5-dibutylfuran-3-carbaldehyde?
2,5-dibutylfuran-3-carbaldehyde has a molecular weight of 208.30 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutylfuran-3-carbaldehyde is sourced from PubChem (CID 135080458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).