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
    1.9618    0.0657    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504    0.2008    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -0.8636    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5935   -0.3489   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4509    1.0744   -0.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    1.4168   -0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    2.5761   -0.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    0.8825   -0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -0.8947    0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0486   -1.8276   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686   -0.9784    1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364   -0.7182   -1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4802   -0.5849    0.3620 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