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
    1.9754   -0.0873   -0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    0.1205   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687   -0.8906    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -0.1171    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482    1.2404    0.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    1.4057   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787    2.5065   -0.5684 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -1.0985   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    0.7482   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502   -1.4969   -0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432   -1.5938    0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4541   -0.4245   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672   -0.3127    1.4315 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