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
    1.5638   -0.4989   -1.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -0.0006   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068   -0.7406   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    0.1296    1.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647    1.4131    0.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3434    1.3540    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    2.2709    0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -1.5160   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.1302   -1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891   -0.7029   -0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057   -1.7729    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2835   -0.0531    1.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -0.0127    1.9130 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