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
-1.9590 0.0766 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6497 0.1492 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3279 -0.9517 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 -0.2170 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 1.0600 -0.1098 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 1.3762 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3422 2.5448 -0.3011 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5518 0.9595 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4148 -0.9155 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -1.7347 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5206 -1.4511 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4892 -0.7146 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4211 -0.1816 1.5905 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