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
-2.3025 -0.3415 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0307 0.0161 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0909 -0.8671 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1557 -0.7069 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6751 0.7034 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7125 1.6616 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 1.3594 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5124 2.1813 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 0.3109 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5644 -1.3441 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5532 -0.4566 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1761 -1.9147 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9698 -1.4430 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6259 -0.8992 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6157 0.7806 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9332 0.9598 -1.5098 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