3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde

C9H8O3 — CID 175464205

IUPAC3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde
SMILESCC1=C2C=COC=C2OC1C=O
InChIInChI=1S/C9H8O3/c1-6-7-2-3-11-5-9(7)12-8(6)4-10/h2-5,8H,1H3
InChIKeyYLTBHTVGYGUQMM-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.29
Rot. Bonds1

About 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde

3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde (PubChem CID 175464205) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde
PubChem CID175464205
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde
SMILESCC1=C2C=COC=C2OC1C=O
InChIInChI=1S/C9H8O3/c1-6-7-2-3-11-5-9(7)12-8(6)4-10/h2-5,8H,1H3
InChIKeyYLTBHTVGYGUQMM-UHFFFAOYSA-N
XLogP1.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-2H-furo[2,3-c]pyran-2-carbaldehyde?
The IUPAC name of 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde (CID 175464205) is 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde.
What is the SMILES notation for 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde?
The canonical SMILES for 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde is CC1=C2C=COC=C2OC1C=O.
What is the InChIKey of 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde?
The InChIKey is YLTBHTVGYGUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-6-7-2-3-11-5-9(7)12-8(6)4-10/h2-5,8H,1H3.
What are the key properties of 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde?
3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-furo[2,3-c]pyran-2-carbaldehyde is sourced from PubChem (CID 175464205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).