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
    1.9509   -0.0070    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523    0.1467    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735   -0.8990    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707   -0.2569   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807    1.0749    0.1466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056    1.3839    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    2.5635   -0.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972    0.8487   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470   -0.9609    0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981   -1.8655   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5106   -0.9892    1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3432   -0.2916   -1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -0.7476   -0.0886 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