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
    1.9073   -0.2623    0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    0.0065   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4804   -0.9076   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    0.0416    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449    1.1921   -0.6078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405    1.3189   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8404    2.3686   -0.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -1.2645    0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    0.5118    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033   -1.1152   -1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477   -1.8017    0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969   -0.3470   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716    0.2587    1.2131 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