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
    1.9056   -0.1741    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995    0.0733   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4384   -0.9151   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831    0.0073    0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773    1.1618   -0.5168 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964    1.2594   -0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7575    2.1794   -1.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524   -1.1344    0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610    0.5891    0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384   -1.6672    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868   -1.3341   -1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649   -0.3827   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5836    0.3372    1.3379 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