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
    1.9012   -0.5035   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876   -0.0039    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383   -0.7220    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6078    0.1131   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388    1.4206    0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596    1.3700   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    2.3192   -0.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    0.1446   -0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342   -1.5263    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -0.5698    1.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600   -1.7743    0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675   -0.1971   -1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -0.0706    0.2410 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