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
    1.9276   -0.3894    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809    0.0044    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853   -0.8477   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    0.1138   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1297    1.3532    0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    1.3815    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333    2.4001   -0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1811   -1.4384    0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6860    0.3533    0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -1.2824   -1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -1.6563    0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815   -0.2170    0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0564    0.2248   -1.1614 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