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
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
1.8694 0.0269 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6104 0.1966 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4884 -0.7773 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4281 -0.3356 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 1.0720 0.6053 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 1.3764 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6433 2.4247 0.6045 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1560 -0.9099 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6327 0.7714 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1819 -1.8204 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 -0.6031 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4543 -0.7110 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9723 -0.7106 1.6528 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