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
2.2938 0.1134 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 0.2303 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 -0.9898 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -0.8183 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7430 0.4373 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9738 1.5698 -0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3937 1.5142 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0827 2.5034 0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7253 -0.8529 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9007 0.9844 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 -1.2559 1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6844 -1.8094 -0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 -1.6637 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2967 -0.8170 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6818 0.2747 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 0.5794 -0.1213 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