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
    1.8694    0.0269   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104    0.1966   -0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -0.7773   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -0.3356    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3363    1.0720    0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116    1.3764    0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6433    2.4247    0.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560   -0.9099   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327    0.7714   -0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819   -1.8204   -0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622   -0.6031   -1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543   -0.7110    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723   -0.7106    1.6528 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