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
   -1.9423   -0.2689    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729    0.0020   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645   -0.8936    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5977    0.1259    0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984    0.9795   -0.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779    1.2086   -0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    2.2644   -1.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -1.2003    0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    0.4528   -0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158   -1.4251    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439   -1.5786   -0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    0.6685    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813   -0.3354    0.2363 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