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

C8H12O4 — CID 59573960

IUPAC4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde
SMILESCOC1OC(C=O)=CC(O)C1C
InChIInChI=1S/C8H12O4/c1-5-7(10)3-6(4-9)12-8(5)11-2/h3-5,7-8,10H,1-2H3
InChIKeyFRHPILHPVHDRJD-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.07
Rot. Bonds2

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

4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde (PubChem CID 59573960) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde
PubChem CID59573960
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde
SMILESCOC1OC(C=O)=CC(O)C1C
InChIInChI=1S/C8H12O4/c1-5-7(10)3-6(4-9)12-8(5)11-2/h3-5,7-8,10H,1-2H3
InChIKeyFRHPILHPVHDRJD-UHFFFAOYSA-N
XLogP0.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde?
The IUPAC name of 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde (CID 59573960) is 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde.
What is the SMILES notation for 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde?
The canonical SMILES for 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde is COC1OC(C=O)=CC(O)C1C.
What is the InChIKey of 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde?
The InChIKey is FRHPILHPVHDRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-5-7(10)3-6(4-9)12-8(5)11-2/h3-5,7-8,10H,1-2H3.
What are the key properties of 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde?
4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde has a molecular weight of 172.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxy-3-methyl-3,4-dihydro-2H-pyran-6-carbaldehyde is sourced from PubChem (CID 59573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).