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
    1.9455    0.0647    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505    0.1819    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -0.7999   -0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5656   -0.2323   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    1.1263   -0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    1.2236    0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0079    2.0422    1.5715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -0.7678   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    0.8164    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954   -0.8306   -1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0991   -1.8075   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1210   -0.7604    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845   -0.2567   -1.3973 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