Monomers

alpha-Methylene-gamma-butyrolactone

Identifiers

IUPAC name
3-methylideneoxolan-2-one
InchI
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2
InchI Key
GSLDEZOOOSBFGP-UHFFFAOYSA-N
SMILES
C=C1CCOC1=O
Canonical SMILES
C=C1CCOC1=O
Isomeric SMILES
C=C1CCOC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6O2
Heavy Atom Count
7
Molecular Weight
98.101
Exact Molecular Weight
98.0368
Valence Electrons
38
Radical Electrons
0
tPSA
26.3
MolLogP
0.4895
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

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.9486   -0.1284   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6528    0.0968   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454   -0.8998   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509   -0.1198    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983    1.1604   -0.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094    1.3926   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008    2.4903   -0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3288   -1.1453   -0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964    0.6463   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747   -1.0601   -1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -1.8428    0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416   -0.5642    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002   -0.0258    1.5523 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  2  0
  6  2  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  4 12  1  0
  4 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers