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
-2.3130 0.1814 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0111 0.2552 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2551 -0.9170 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1573 -0.9734 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 0.3969 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0820 1.3309 -0.7267 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2823 1.4440 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 2.5551 -0.6562 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8165 -0.7046 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 1.0088 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8145 -1.8357 0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2466 -0.8238 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 -1.3115 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 -1.6542 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8303 0.3864 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7584 0.6615 1.1508 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