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
    1.9307   -0.1185    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762    0.1677    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3415   -0.7643   -0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052   -0.2399    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927    1.1673    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388    1.4093    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674    2.5007    0.6411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088    0.6341    0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -1.1036   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100   -1.8068   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630   -0.7300   -1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236   -0.5642    1.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088   -0.5516   -0.4632 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