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
    1.9916    0.0493    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    0.1466   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003   -0.9483   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -0.2694    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094    1.0252   -0.3758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0631    1.3772   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253    2.5702   -0.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098   -0.9452    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905    0.9324    0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855   -1.1914   -1.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -1.8010    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -0.1802    1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -0.7655   -0.2765 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