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
    1.9300   -0.1347    0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6628    0.1055    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115   -0.8538   -0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151   -0.1178   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631    1.0973    0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065    1.3832    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5268    2.5194    0.6153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188   -1.1147    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    0.5989    0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921   -1.8326    0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -0.9322   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    0.0194   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2558   -0.7379    0.4312 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