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
    1.9640    0.0087    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805    0.1129   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3509   -0.9801   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5471   -0.2082    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699    0.9778   -0.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049    1.3260   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3608    2.4903   -0.5907 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    0.9060    0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012   -0.9418    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5882   -1.1696   -1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0864   -1.8464    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -0.7607    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    0.0852    1.4274 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