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
    1.9208   -0.3139    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816    0.0429   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4746   -0.8806   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081    0.0507    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841    1.2200   -0.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088    1.3661   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614    2.4536   -0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915    0.4333    0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -1.3390    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994   -1.1305   -1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3979   -1.7604    0.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5915   -0.3517    0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    0.2097    1.3387 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