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
    1.0105   -1.7019   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841   -0.5123    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9469   -0.1915   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157    1.2765    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887    1.5675    0.8368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1631    0.7394    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977    1.0209    0.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -2.5445   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589   -1.8414    0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1714   -0.3426   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6155   -0.8080    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421    1.8573   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    1.4805    0.7754 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