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
    2.2291   -0.3834   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -0.0310   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0798   -1.0724   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4217   -0.3696   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    0.6559    0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6839    1.7589    0.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100    1.3829   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    2.2422   -0.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210    0.3381    0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -1.4194   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0712   -1.4557   -1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -1.8949    0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5365    0.1538   -1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612   -1.0612   -0.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350    0.2075    1.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4791    0.9485    1.0621 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