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
    1.9550   -0.1110    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6843    0.1772    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3116   -0.7611   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5947   -0.2841    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100    1.1087    0.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477    1.3972    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    2.5013    0.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772   -1.0590   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    0.6242    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3843   -0.5892   -1.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -1.8023   -0.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393   -0.8387    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488   -0.3632   -0.6200 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