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
    1.9003   -0.3825   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    0.0459   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.7657   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944    0.0175    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441    1.3450   -0.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564    1.3966    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    2.3915    0.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -1.4216   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360    0.2541    0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4509   -1.8089   -0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707   -0.6888   -1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3752   -0.1302    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091   -0.2528    0.0202 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