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
    1.9369   -0.4427    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857   -0.0453    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329   -0.8601    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6098    0.1656    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    1.4208    0.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784    1.3455    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    2.3579    0.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.2762    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397   -1.4949    0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010   -1.2549    1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -1.6748   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8051    0.2284   -1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5373   -0.0217    0.6021 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