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
    1.9220   -0.2676    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693    0.0767   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630   -0.7971   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -0.0800    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    1.2591   -0.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571    1.3919    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785    2.4726    0.3524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2004   -1.3105   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223    0.3846    0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5644   -0.6944   -1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3419   -1.8393   -0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -0.4371   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -0.1589    1.3370 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