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
    0.2169    1.2532    1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.4182    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998   -0.7360    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408   -0.8675   -1.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428   -0.6670   -1.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    0.3930   -0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    1.2398   -0.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    2.0368    1.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    1.1280    2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7809   -0.5052   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5297   -1.6493    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5790   -0.1243   -2.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -1.9197   -1.6936 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