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
    1.9927   -0.0376    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    0.1380   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553   -0.9029   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720   -0.1649   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    1.1427   -0.3812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194    1.3939   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272    2.5405   -0.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078   -1.0207    0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925    0.7858    0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558   -1.5268    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -1.5831   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422   -0.1609    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4123   -0.6041   -0.6928 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