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
-1.9423 -0.2689 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 0.0020 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4645 -0.8936 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 0.1259 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2984 0.9795 -0.7835 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 1.2086 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7034 2.2644 -1.0664 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2465 -1.2003 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6792 0.4528 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3158 -1.4251 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6439 -1.5786 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4206 0.6685 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5813 -0.3354 0.2363 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