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
-2.2095 -0.2927 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9743 0.0670 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0688 -0.9815 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9809 -0.6361 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7258 0.6398 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 1.6737 -0.2228 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5373 1.4230 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3930 2.3666 0.2168 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5009 -1.3125 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9974 0.4431 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3566 -1.9994 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6807 -0.8812 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3521 -0.3536 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6823 -1.4447 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4783 0.8706 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2118 0.4179 0.5811 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