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
    1.9572   -0.1318    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    0.1212   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348   -0.8189   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751   -0.2037    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501    1.2000    0.3022 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    1.4074    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757    2.5413    0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309    0.6634    0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218   -1.1195   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464   -1.8104   -0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141   -0.7637   -1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4946   -0.6187    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5681   -0.4667   -0.0777 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