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
    1.9283   -0.3591   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999    0.0491   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352   -0.7961    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.0591    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777    1.2302   -0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    1.3803   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8013    2.4626   -0.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806    0.3472   -0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1754   -1.3995    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -1.7601   -0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404   -1.1033    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0868    0.3465    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3342   -0.4569   -0.5985 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