(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde

C7H8O3 — CID 134823980

IUPAC(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCC1=CC(=O)O[C@H](C=O)C1
InChIInChI=1S/C7H8O3/c1-5-2-6(4-8)10-7(9)3-5/h3-4,6H,2H2,1H3/t6-/m0/s1
InChIKeyWMYMPMYDJIBWMH-LURJTMIESA-N
MW140.14 g/mol
LogP0.45
Rot. Bonds1

About (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde

(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde (PubChem CID 134823980) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde
PubChem CID134823980
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde
SMILESCC1=CC(=O)O[C@H](C=O)C1
InChIInChI=1S/C7H8O3/c1-5-2-6(4-8)10-7(9)3-5/h3-4,6H,2H2,1H3/t6-/m0/s1
InChIKeyWMYMPMYDJIBWMH-LURJTMIESA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl] acetate
CID 71665738
(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 11018871
4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 21627998
4,6-dimethyl-5,6-dihydro-2H-pyran-2-one
CID 24973324
ethyl (E,6S)-6-methoxy-2-methyl-7-oxohept-2-enoate
CID 11506756
[(6E,10E)-2,6,10-trimethyl-5,12-dioxododeca-2,6,10-trien-4-yl] acetate
CID 50916013
[(6Z,10E)-2,6,10-trimethyl-5,12-dioxododeca-2,6,10-trien-4-yl] acetate
CID 164668790
(2R)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 5325609
ethyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 10749668
Methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 15200909
ethyl 4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 85157189
ethyl (2R)-4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 58886818

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The IUPAC name of (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde (CID 134823980) is (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde.
What is the SMILES notation for (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The canonical SMILES for (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde is CC1=CC(=O)O[C@H](C=O)C1.
What is the InChIKey of (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde?
The InChIKey is WMYMPMYDJIBWMH-LURJTMIESA-N. The full InChI is InChI=1S/C7H8O3/c1-5-2-6(4-8)10-7(9)3-5/h3-4,6H,2H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde?
(2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-6-oxo-2,3-dihydropyran-2-carbaldehyde is sourced from PubChem (CID 134823980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).