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
    1.9097   -0.4150    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6979   -0.0384   -0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5258   -0.8477    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033    0.2188    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1577    1.1485   -0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2403    1.2191   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496    2.1990   -1.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121   -1.3794    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206    0.2884    0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4840   -1.4867    1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136   -1.4207   -0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437    0.6969    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022   -0.1829   -0.0290 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