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
    1.8666   -0.5405    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.0232   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6025   -0.7336   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780    0.1686    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    1.4551    0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261    1.3846    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180    2.3706    0.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6884    0.1051    0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696   -1.6141   -0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -0.7296   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6255   -1.7540   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496   -0.0617    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675   -0.0273   -0.0966 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