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
    0.8544    0.7927    1.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    0.3533    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877   -0.0573    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394   -0.9029   -1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -0.5163   -1.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808    0.1811   -0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3413    0.6121   -0.9873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971    1.0620    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658    0.8648    2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3481   -0.6143    1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.8506   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472   -0.6387   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.9871   -0.8531 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