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
    1.9134   -0.4471    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -0.0167    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914   -0.7870    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5461    0.0821   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698    1.3878   -0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2408    1.3573   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    2.3642   -0.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7661    0.1991    0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511   -1.5023    0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5059   -1.8088   -0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -0.7816    1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6038   -0.1010   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    0.0539   -1.5788 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