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
    1.8773    0.5029    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798    0.3281   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722   -0.8928   -0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4005   -0.7344    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809    0.6450    0.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689    1.3255    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    2.5704    0.2195 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3367    1.4319    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -0.3333   -0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -0.7495   -1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669   -1.8186   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2234   -1.3844    0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0469   -0.8907    1.4243 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