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
2.2427 -0.4430 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 -0.0019 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0522 -0.9363 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 -0.5479 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4988 0.7999 0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6562 1.7600 -0.1302 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6974 1.4186 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6254 2.2526 -0.1757 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0268 0.2191 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4028 -1.5122 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0263 -0.9421 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2348 -1.9367 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 -1.2948 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1300 -0.6842 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1845 0.7233 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 1.1257 0.5505 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