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
2.2801 -0.3529 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0192 -0.0049 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0032 -0.9827 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2902 -0.6205 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6793 0.7625 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 1.6736 -0.4392 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5769 1.3116 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4487 2.1219 -0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5556 -1.3278 0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0393 0.3378 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3008 -2.0330 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1873 -0.8064 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9929 -0.5039 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0740 -1.3674 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4837 0.7986 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 0.9935 -0.0574 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