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
    2.2461   -0.3996   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921   -0.0541    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -1.0828    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2432   -0.3352    0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6756    0.6207   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    1.6989   -0.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6128    1.3587    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    2.2781    0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631   -1.4222   -0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999    0.3506   -0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973   -1.8894    1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -1.4726   -0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370    0.2771    1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585   -1.0040    1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.1253   -1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7046    0.9506   -0.1039 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