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
    1.9319   -0.4837   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -0.0168   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -0.8093    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478    0.1997    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0720    1.4819   -0.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183    1.3722   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0837    2.3617   -0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8233    0.1139   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151   -1.5656    0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863   -1.5115   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5847   -1.3780    1.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3710    0.0366   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962    0.1989    1.0224 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