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
    1.7071    0.9042    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.4394   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343   -0.9705   -0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2718   -0.9656    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.2175   -0.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455    1.1557   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.4179   -0.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012    0.2686    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146    1.9575    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -1.1248   -1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7951   -1.6882    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528   -1.8479   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147   -0.7637    1.3448 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