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
    1.9256   -0.3693   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688    0.0039   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5701   -0.8137   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5576    0.0700    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    1.3567    0.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991    1.3779   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691    2.4357    0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281   -1.4364   -0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677    0.2727   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4503   -1.8022    0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.8693   -1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278   -0.0331    1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6067   -0.1928    0.2382 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