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
    1.9717    0.0398   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6578    0.1677   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252   -0.9421   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649   -0.2338    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    1.0182   -0.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213    1.3985   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557    2.5628   -0.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422    0.8865   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.9397   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0498   -1.7767    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5659   -1.2825   -1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903   -0.7816    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620   -0.1172    1.4886 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