Monomers
3-methylenetetrahydro-2H-pyran-2-one
Identifiers
IUPAC name
3-methylideneoxan-2-one
InchI
InChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h1-4H2
InchI Key
YGDKIQZYHCUZIC-UHFFFAOYSA-N
SMILES
C=C1CCCOC1=O
Canonical SMILES
C=C1CCCOC1=O
Isomeric SMILES
C=C1CCCOC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.8796
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
16 16 0 0 0 0 0 0 0 0999 V2000
2.2837 -0.3294 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -0.0115 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0075 -1.0698 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.4547 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7204 0.6258 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 1.6951 0.1027 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5565 1.3830 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4452 2.2988 0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5526 -1.3694 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0344 0.4414 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 -1.2599 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3486 -1.9868 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9343 -1.1932 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7118 0.0207 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7497 0.9334 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7175 0.2765 1.2596 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 1 0
7 8 2 0
7 2 1 0
1 9 1 0
1 10 1 0
3 11 1 0
3 12 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers