6-methyl-2,5-dihydropyran-6-carbaldehyde

C7H10O2 — CID 155943340

IUPAC6-methyl-2,5-dihydropyran-6-carbaldehyde
SMILESCC1(C=O)CC=CCO1
InChIInChI=1S/C7H10O2/c1-7(6-8)4-2-3-5-9-7/h2-3,6H,4-5H2,1H3
InChIKeyPHQQMIKIFLPVPX-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 6-methyl-2,5-dihydropyran-6-carbaldehyde

6-methyl-2,5-dihydropyran-6-carbaldehyde (PubChem CID 155943340) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 6-methyl-2,5-dihydropyran-6-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2,5-dihydropyran-6-carbaldehyde
PubChem CID155943340
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name6-methyl-2,5-dihydropyran-6-carbaldehyde
SMILESCC1(C=O)CC=CCO1
InChIInChI=1S/C7H10O2/c1-7(6-8)4-2-3-5-9-7/h2-3,6H,4-5H2,1H3
InChIKeyPHQQMIKIFLPVPX-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 6-methyl-2,5-dihydropyran-6-carbaldehyde?
The IUPAC name of 6-methyl-2,5-dihydropyran-6-carbaldehyde (CID 155943340) is 6-methyl-2,5-dihydropyran-6-carbaldehyde.
What is the SMILES notation for 6-methyl-2,5-dihydropyran-6-carbaldehyde?
The canonical SMILES for 6-methyl-2,5-dihydropyran-6-carbaldehyde is CC1(C=O)CC=CCO1.
What is the InChIKey of 6-methyl-2,5-dihydropyran-6-carbaldehyde?
The InChIKey is PHQQMIKIFLPVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(6-8)4-2-3-5-9-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-2,5-dihydropyran-6-carbaldehyde?
6-methyl-2,5-dihydropyran-6-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 6-methyl-2,5-dihydropyran-6-carbaldehyde is sourced from PubChem (CID 155943340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).