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
    1.9146   -0.4404    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105    0.0538    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.8117    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319    0.1036   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1045    1.4092   -0.2918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460    1.4061   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9704    2.4241   -0.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -1.4894    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    0.2226    0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -1.6084   -0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402   -1.2021    1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501   -0.1242   -1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4232    0.0567    0.4770 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