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
    1.8212   -0.7000    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580   -0.1350   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -0.7814   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5095    0.4195    0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649    1.3607   -0.6183 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410    1.2166   -0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    2.1087   -0.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -0.1457   -0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -1.7248    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394   -1.1182   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797   -1.5699    0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.2423    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1783    0.8271    1.3682 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