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
2.1471 -0.6989 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 -0.2961 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2395 -1.0964 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3545 -0.2437 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3653 1.1577 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 1.4811 -1.0451 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9130 0.9991 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9655 1.6070 -1.0872 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0076 -0.0554 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2587 -1.6498 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 -1.4063 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 -1.9906 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3186 -0.7435 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3638 -0.3187 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2862 1.8264 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3584 1.4280 -0.5425 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