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
    1.8898   -0.5594    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905   -0.0316   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5751   -0.7274   -0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6007    0.1699    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962    1.4485   -0.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043    1.3761    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670    2.3595    0.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943   -1.6254   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741   -0.0044    0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -0.6322   -1.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -1.7473   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -0.0252    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220   -0.0009   -0.1110 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