furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde

C16H20O5 — CID 87704681

IUPACfuran-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde
SMILESCCC(C)C=O.Cc1ccc(C=O)o1.O=Cc1ccco1
InChIInChI=1S/C6H6O2.C5H4O2.C5H10O/c1-5-2-3-6(4-7)8-5;6-4-5-2-1-3-7-5;1-3-5(2)4-6/h2-4H,1H3;1-4H;4-5H,3H2,1-2H3
InChIKeyHUCSMSDGLMPTTI-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.72
Rot. Bonds4

About furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde

furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde (PubChem CID 87704681) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde.

Molecular Properties

Compound Namefuran-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde
PubChem CID87704681
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namefuran-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde
SMILESCCC(C)C=O.Cc1ccc(C=O)o1.O=Cc1ccco1
InChIInChI=1S/C6H6O2.C5H4O2.C5H10O/c1-5-2-3-6(4-7)8-5;6-4-5-2-1-3-7-5;1-3-5(2)4-6/h2-4H,1H3;1-4H;4-5H,3H2,1-2H3
InChIKeyHUCSMSDGLMPTTI-UHFFFAOYSA-N
XLogP3.72
TPSA77.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde?
The IUPAC name of furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde (CID 87704681) is furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde.
What is the SMILES notation for furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde?
The canonical SMILES for furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde is CCC(C)C=O.Cc1ccc(C=O)o1.O=Cc1ccco1.
What is the InChIKey of furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde?
The InChIKey is HUCSMSDGLMPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C5H4O2.C5H10O/c1-5-2-3-6(4-7)8-5;6-4-5-2-1-3-7-5;1-3-5(2)4-6/h2-4H,1H3;1-4H;4-5H,3H2,1-2H3.
What are the key properties of furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde?
furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde has a molecular weight of 292.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde is sourced from PubChem (CID 87704681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).