4,5-dimethyl-2H-furan-5-carbaldehyde

C7H10O2 — CID 174471319

IUPAC4,5-dimethyl-2H-furan-5-carbaldehyde
SMILESCC1=CCOC1(C)C=O
InChIInChI=1S/C7H10O2/c1-6-3-4-9-7(6,2)5-8/h3,5H,4H2,1-2H3
InChIKeyJWFDVLWOSNVWQY-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 4,5-dimethyl-2H-furan-5-carbaldehyde

4,5-dimethyl-2H-furan-5-carbaldehyde (PubChem CID 174471319) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4,5-dimethyl-2H-furan-5-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethyl-2H-furan-5-carbaldehyde
PubChem CID174471319
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4,5-dimethyl-2H-furan-5-carbaldehyde
SMILESCC1=CCOC1(C)C=O
InChIInChI=1S/C7H10O2/c1-6-3-4-9-7(6,2)5-8/h3,5H,4H2,1-2H3
InChIKeyJWFDVLWOSNVWQY-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2H-furan-5-carbaldehyde?
The IUPAC name of 4,5-dimethyl-2H-furan-5-carbaldehyde (CID 174471319) is 4,5-dimethyl-2H-furan-5-carbaldehyde.
What is the SMILES notation for 4,5-dimethyl-2H-furan-5-carbaldehyde?
The canonical SMILES for 4,5-dimethyl-2H-furan-5-carbaldehyde is CC1=CCOC1(C)C=O.
What is the InChIKey of 4,5-dimethyl-2H-furan-5-carbaldehyde?
The InChIKey is JWFDVLWOSNVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-3-4-9-7(6,2)5-8/h3,5H,4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2H-furan-5-carbaldehyde?
4,5-dimethyl-2H-furan-5-carbaldehyde has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2H-furan-5-carbaldehyde is sourced from PubChem (CID 174471319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).