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
1.8898 -0.5594 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 -0.0316 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5751 -0.7274 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6007 0.1699 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0962 1.4485 -0.0891 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3043 1.3761 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 2.3595 0.2329 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9943 -1.6254 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7741 -0.0044 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7036 -0.6322 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6286 -1.7473 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4937 -0.0252 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6220 -0.0009 -0.1110 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