2-(furan-2-yl)acetaldehyde

C6H6O2 — CID 10953450

IUPAC2-(furan-2-yl)acetaldehyde
SMILESO=CCc1ccco1
InChIInChI=1S/C6H6O2/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
InChIKeyLNKQTTQZURKWDO-UHFFFAOYSA-N
MW110.11 g/mol
LogP1.02
Rot. Bonds2

About 2-(furan-2-yl)acetaldehyde

2-(furan-2-yl)acetaldehyde (PubChem CID 10953450) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 2-(furan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(furan-2-yl)acetaldehyde
PubChem CID10953450
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name2-(furan-2-yl)acetaldehyde
SMILESO=CCc1ccco1
InChIInChI=1S/C6H6O2/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
InChIKeyLNKQTTQZURKWDO-UHFFFAOYSA-N
XLogP1.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 51.02
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 2-(furan-2-yl)acetaldehyde?
The IUPAC name of 2-(furan-2-yl)acetaldehyde (CID 10953450) is 2-(furan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(furan-2-yl)acetaldehyde?
The canonical SMILES for 2-(furan-2-yl)acetaldehyde is O=CCc1ccco1.
What is the InChIKey of 2-(furan-2-yl)acetaldehyde?
The InChIKey is LNKQTTQZURKWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2.
What are the key properties of 2-(furan-2-yl)acetaldehyde?
2-(furan-2-yl)acetaldehyde has a molecular weight of 110.11 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)acetaldehyde is sourced from PubChem (CID 10953450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).