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
    1.9891    0.0727   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865    0.1834   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689   -0.8799    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288   -0.2818    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443    0.9400   -0.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    1.3408   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2922    2.4923   -0.7775 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312   -0.8481    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    0.9042   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0841   -1.2289    1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0856   -1.7427   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9955   -0.0187    1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561   -0.9332   -0.3759 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