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
    1.7494   -0.8036   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -0.0993   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388   -0.6009   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053    0.3575    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072    1.6063    0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4727    1.3173    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306    2.1131    0.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   -1.8686   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7349   -0.3889   -0.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582   -1.6525   -0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.4361   -1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042    0.1107    1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    0.3449    0.3452 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