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
    1.9573   -0.0249    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.1275   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.9188   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.2038    0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721    1.1693    0.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0306    1.4074   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725    2.4886   -0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970   -1.0083    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6126    0.8196    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214   -1.0799   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -1.8447    0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839   -0.5427   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283   -0.3893    1.3846 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