3-methyl-2,3-dihydrofuran-2-carbaldehyde

C6H8O2 — CID 147059725

IUPAC3-methyl-2,3-dihydrofuran-2-carbaldehyde
SMILESCC1C=COC1C=O
InChIInChI=1S/C6H8O2/c1-5-2-3-8-6(5)4-7/h2-6H,1H3
InChIKeyBCYACQCQNJPWQX-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.73
Rot. Bonds1

About 3-methyl-2,3-dihydrofuran-2-carbaldehyde

3-methyl-2,3-dihydrofuran-2-carbaldehyde (PubChem CID 147059725) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methyl-2,3-dihydrofuran-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2,3-dihydrofuran-2-carbaldehyde
PubChem CID147059725
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3-methyl-2,3-dihydrofuran-2-carbaldehyde
SMILESCC1C=COC1C=O
InChIInChI=1S/C6H8O2/c1-5-2-3-8-6(5)4-7/h2-6H,1H3
InChIKeyBCYACQCQNJPWQX-UHFFFAOYSA-N
XLogP0.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.73
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 3-methyl-2,3-dihydrofuran-2-carbaldehyde?
The IUPAC name of 3-methyl-2,3-dihydrofuran-2-carbaldehyde (CID 147059725) is 3-methyl-2,3-dihydrofuran-2-carbaldehyde.
What is the SMILES notation for 3-methyl-2,3-dihydrofuran-2-carbaldehyde?
The canonical SMILES for 3-methyl-2,3-dihydrofuran-2-carbaldehyde is CC1C=COC1C=O.
What is the InChIKey of 3-methyl-2,3-dihydrofuran-2-carbaldehyde?
The InChIKey is BCYACQCQNJPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-2-3-8-6(5)4-7/h2-6H,1H3.
What are the key properties of 3-methyl-2,3-dihydrofuran-2-carbaldehyde?
3-methyl-2,3-dihydrofuran-2-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydrofuran-2-carbaldehyde is sourced from PubChem (CID 147059725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).