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
1.9101 -0.3587 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6576 0.0570 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5763 -0.7447 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5260 -0.0209 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2433 1.3431 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1538 1.3976 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8709 2.4388 0.1543 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1273 -1.3929 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7594 0.2854 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4023 -1.7874 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9423 -0.6848 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5730 -0.2799 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2158 -0.2526 1.5778 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