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
    1.8915    0.5263    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990    0.3587   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -0.8560   -0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -0.7380    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062    0.6538    0.1987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847    1.3182    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660    2.5520    0.4325 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578   -0.2731   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990    1.4544    0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -1.7924   -0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950   -0.8209   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2203   -1.2948   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440   -1.0882    1.2883 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