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
2.1830 -0.5409 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0691 -0.0125 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1012 -0.8568 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 -0.5212 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 0.7906 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5923 1.7444 0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7281 1.3996 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5919 2.2112 -0.6146 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4056 -1.5759 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8847 0.0849 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3587 -0.7964 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2829 -1.9372 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 -1.3393 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8625 -0.5726 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8401 0.7009 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5484 1.2213 0.2186 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