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
    1.9244   -0.3642   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918    0.0521   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -0.8229    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664    0.0910    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1915    1.2968   -0.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1717    1.4066   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    2.4228   -0.2891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1841   -1.4012    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7596    0.3177   -0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -1.3300    1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899   -1.5906   -0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180    0.2861    1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.3642   -0.4905 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