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
    1.9297   -0.3371   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613   -0.0247   -0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4939   -0.8661    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553    0.2013    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253    1.0161   -0.7307 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.1667   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7293    2.1302   -1.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2769   -1.2460    0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6699    0.3630   -0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -1.5401   -0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.4200    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5774   -0.2086    0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109    0.7653    1.3475 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