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
    1.9415   -0.2400    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    0.0759   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741   -0.8967   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6153   -0.0238    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2467    1.2956   -0.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1326    1.4257   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211    2.4556   -0.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132   -1.2816    0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    0.5533    0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2721   -1.7442    0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5886   -1.2770   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607   -0.2628   -0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6884   -0.0801    1.3469 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