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
    1.8795   -0.5669   -0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782   -0.0527   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712   -0.7911    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    0.2964    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456    1.5088   -0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919    1.3477   -0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0331    2.2985   -0.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406   -1.6156   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    0.0664   -0.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3813   -1.5006    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496   -1.3763   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052    0.2818    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536    0.1034    0.1071 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