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
    1.9458   -0.2412    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.0545   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -0.8945   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803    0.0116    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    1.2596   -0.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762    1.3542   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352    2.3792   -0.7381 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706   -1.2483    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938    0.5316    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3109   -1.7650    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -1.1663   -1.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -0.3754    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    0.1000    1.4850 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