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
-1.0896 0.5796 1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 0.4122 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2490 -0.8757 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2167 -1.1446 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9234 0.0322 -1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0262 1.1239 -1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 1.4671 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8094 2.6360 0.0794 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 -0.1837 2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6024 1.4985 2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3295 -0.6830 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1649 -1.6965 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7401 -2.0657 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8231 -1.1556 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8072 0.2897 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1928 -0.2342 -2.5864 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