(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde

C7H8O4 — CID 24823871

IUPAC(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCOC1=CC(=O)O[C@@H](C=O)C1
InChIInChI=1S/C7H8O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3-4,6H,2H2,1H3/t6-/m1/s1
InChIKeyDUCGPXPAOABVIZ-ZCFIWIBFSA-N
MW156.14 g/mol
LogP0.03
Rot. Bonds2

About (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde

(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde (PubChem CID 24823871) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
PubChem CID24823871
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCOC1=CC(=O)O[C@@H](C=O)C1
InChIInChI=1S/C7H8O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3-4,6H,2H2,1H3/t6-/m1/s1
InChIKeyDUCGPXPAOABVIZ-ZCFIWIBFSA-N
XLogP0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-propanoyl-2,3-dihydropyran-6-one
CID 11846578
(2R)-4-methoxy-5-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde
CID 16115685
(2s)-4-Methyl-6-oxo-3,6-dihydro-2h-pyran-2-carbaldehyde
CID 134823980
Ethyl 2-(2-formyl-4-methoxy-6-oxopyran-3-yl)acetate
CID 14594782
methyl (Z)-3,5-dimethoxy-4-methyl-6-oxohex-2-enoate
CID 15405442
Methyl 3,5-dimethoxy-4-methyl-6-oxohex-2-enoate
CID 57247473
(2R)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde
CID 60061892
methyl (E)-3,5-dimethoxy-4-methyl-6-oxohex-2-enoate
CID 142044699
tert-butyl (2Z)-2-[(6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-ylidene]acetate
CID 163681235
methyl (E,4R,5R)-3,5-dimethoxy-4-methyl-6-oxohex-2-enoate
CID 11218185
methyl (E,4S,5S)-3,5-dimethoxy-4-methyl-6-oxohex-2-enoate
CID 11401654
methyl (Z,4R,5R)-3,5-dimethoxy-4-methyl-6-oxohex-2-enoate
CID 12147357

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The IUPAC name of (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde (CID 24823871) is (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde.
What is the SMILES notation for (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The canonical SMILES for (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde is COC1=CC(=O)O[C@@H](C=O)C1.
What is the InChIKey of (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The InChIKey is DUCGPXPAOABVIZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8O4/c1-10-5-2-6(4-8)11-7(9)3-5/h3-4,6H,2H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde?
(2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde has a molecular weight of 156.14 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-6-oxo-2,3-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 24823871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).