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
1.9486 -0.1284 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6528 0.0968 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4454 -0.8998 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5509 -0.1198 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 1.1604 -0.0916 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0094 1.3926 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6008 2.4903 -0.0711 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3288 -1.1453 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6964 0.6463 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7747 -1.0601 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2070 -1.8428 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5416 -0.5642 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3002 -0.0258 1.5523 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