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
    2.1621   -0.7218   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687   -0.1429   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -0.8881    0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3026   -0.4834    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5795    0.9897    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4022    1.7544    0.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    1.2880   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6807    2.0089   -0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502   -0.2008   -1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777   -1.7822   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074   -0.5804    1.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -1.9824    0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480   -1.1041    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088   -0.7582   -1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3431    1.2246    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368    1.3786   -0.8403 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