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
   -1.9590    0.0766   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6497    0.1492   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279   -0.9517   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5551   -0.2170    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4951    1.0600   -0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1244    1.3762   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422    2.5448   -0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5518    0.9595   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148   -0.9155   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -1.7347    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206   -1.4511   -1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -0.7146    0.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.1816    1.5905 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