6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

C8H12O3 — CID 23338793

IUPAC6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCOC1C=C(C)CC(C=O)O1
InChIInChI=1S/C8H12O3/c1-6-3-7(5-9)11-8(4-6)10-2/h4-5,7-8H,3H2,1-2H3
InChIKeySIRSRJFXAHCPGU-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde

6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 23338793) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID23338793
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCOC1C=C(C)CC(C=O)O1
InChIInChI=1S/C8H12O3/c1-6-3-7(5-9)11-8(4-6)10-2/h4-5,7-8H,3H2,1-2H3
InChIKeySIRSRJFXAHCPGU-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 23338793) is 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is COC1C=C(C)CC(C=O)O1.
What is the InChIKey of 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is SIRSRJFXAHCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-3-7(5-9)11-8(4-6)10-2/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde?
6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 23338793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).