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
    1.9556    0.0629    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596    0.1941    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -0.9514    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032   -0.2926   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163    1.0370   -0.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992    1.4289   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2756    2.5918    0.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    0.9452    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325   -0.8862    0.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0567   -1.6330   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143   -1.4259    1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2209   -0.2838    0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994   -0.7870   -1.1151 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