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
2.2411 0.3996 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9987 0.3151 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3711 -0.9986 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 -1.0208 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7636 0.2924 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1113 1.3868 -0.4719 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2431 1.5450 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7880 2.6983 -0.1249 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 -0.4775 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6710 1.3629 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8259 -1.7740 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 -1.2777 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5513 -1.5581 -0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3867 -1.6686 0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8063 0.2634 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9165 0.5118 1.1768 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