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
    1.9422   -0.2749    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826    0.0046   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560   -0.8306    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6084    0.1489    0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    1.0471   -0.7276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    1.1646   -0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831    2.0641   -1.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098   -1.1700    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    0.3858   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -1.2992    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -1.6286   -0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -0.3320    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174    0.7205    1.2679 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