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
    1.9234   -0.4292   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6869    0.0281   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -0.7874   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201    0.0847    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.3879    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.4038   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268    2.4251    0.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7352    0.2667   -0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718   -1.4681   -0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003   -1.7049    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -0.9784   -1.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -0.0640    1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6132   -0.1643   -0.0298 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