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
cid=

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
   -2.1186   -0.8185    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050   -0.2016   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.9601   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087   -0.3450    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392    1.1011    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439    1.7964   -0.3778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9329    1.2471   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9926    1.9046   -0.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0779   -1.9004    0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0017   -0.2570    0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262   -2.0412   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.8808   -1.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6130   -0.9149    1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988   -0.5731   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1116    1.2398    1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253    1.6035    0.2490 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