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
    1.9669   -0.0799   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.1132   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -0.8066   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920   -0.2272    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619    1.1677    0.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0264    1.3599    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5823    2.4195    0.6712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.6622    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329   -1.0395   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263   -1.8515   -0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6816   -0.6360   -1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101   -0.5438    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654   -0.5380   -0.0629 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