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
    1.9101   -0.3587   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6576    0.0570   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -0.7447   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5260   -0.0209    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    1.3431    0.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    1.3976    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709    2.4388    0.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273   -1.3929   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7594    0.2854   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023   -1.7874   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -0.6848   -1.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730   -0.2799    0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -0.2526    1.5778 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