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
2.3083 -0.1960 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0192 0.0870 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 -0.9367 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 -0.7804 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7312 0.6034 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8678 1.6240 -0.4761 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4908 1.4184 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3051 2.3841 -0.2762 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6660 -1.1854 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9964 0.5339 -0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2188 -0.6227 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4736 -1.9542 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9589 -1.5044 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8774 -0.8906 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 0.7310 -0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7239 0.6886 1.1236 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