Monomers

3-methylenetetrahydro-2H-pyran-2-one

Identifiers

IUPAC name
3-methylideneoxan-2-one
InchI
InChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h1-4H2
InchI Key
YGDKIQZYHCUZIC-UHFFFAOYSA-N
SMILES
C=C1CCCOC1=O
Canonical SMILES
C=C1CCCOC1=O
Isomeric SMILES
C=C1CCCOC1=O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.8796
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.2938    0.1134   -0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289    0.2303   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097   -0.9898   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167   -0.8183   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430    0.4373    0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    1.5698   -0.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937    1.5142    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    2.5034    0.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253   -0.8529   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007    0.9844   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1753   -1.2559    1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844   -1.8094   -0.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939   -1.6637    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2967   -0.8170   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818    0.2747    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7886    0.5794   -0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  2  1  0
  1  9  1  0
  1 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers