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
2.2852 -0.2947 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0054 -0.0027 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0939 -0.9823 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 -0.6569 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6711 0.7000 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8113 1.6127 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5621 1.3744 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 2.2965 -0.1057 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -1.3070 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0307 0.4742 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2265 -2.0216 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.7294 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4818 -0.7119 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8782 -1.4372 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9006 1.1074 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 0.5785 -0.1243 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