3,6-dihydro-2H-pyran-6-carbaldehyde

C6H8O2 — CID 557816

IUPAC3,6-dihydro-2H-pyran-6-carbaldehyde
SMILESO=CC1C=CCCO1
InChIInChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h1,3,5-6H,2,4H2
InChIKeyABXVWFMVVXQBEH-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.53
Rot. Bonds1

About 3,6-dihydro-2H-pyran-6-carbaldehyde

3,6-dihydro-2H-pyran-6-carbaldehyde (PubChem CID 557816) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-6-carbaldehyde.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-6-carbaldehyde
PubChem CID557816
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3,6-dihydro-2H-pyran-6-carbaldehyde
SMILESO=CC1C=CCCO1
InChIInChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h1,3,5-6H,2,4H2
InChIKeyABXVWFMVVXQBEH-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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 3,6-dihydro-2H-pyran-6-carbaldehyde?
The IUPAC name of 3,6-dihydro-2H-pyran-6-carbaldehyde (CID 557816) is 3,6-dihydro-2H-pyran-6-carbaldehyde.
What is the SMILES notation for 3,6-dihydro-2H-pyran-6-carbaldehyde?
The canonical SMILES for 3,6-dihydro-2H-pyran-6-carbaldehyde is O=CC1C=CCCO1.
What is the InChIKey of 3,6-dihydro-2H-pyran-6-carbaldehyde?
The InChIKey is ABXVWFMVVXQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h1,3,5-6H,2,4H2.
What are the key properties of 3,6-dihydro-2H-pyran-6-carbaldehyde?
3,6-dihydro-2H-pyran-6-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-6-carbaldehyde is sourced from PubChem (CID 557816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).