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
    1.9396   -0.2248    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    0.0250   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562   -0.9271    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    0.0324    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3378    1.0511   -0.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546    1.2590   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849    2.3302   -0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -1.1636    0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.5706   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094   -1.6603    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6220   -1.3750   -0.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5854   -0.4192    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370    0.5016    1.2853 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