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
1.9369 -0.4427 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 -0.0453 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 -0.8601 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6098 0.1656 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0977 1.4208 0.4247 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2784 1.3455 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0205 2.3579 0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7298 0.2762 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1397 -1.4949 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7010 -1.2549 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 -1.6748 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 0.2284 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5373 -0.0217 0.6021 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