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
2.3668 -0.1910 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0775 0.0780 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1126 -1.0246 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2565 -0.6897 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7489 0.6644 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 1.6552 0.0985 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5848 1.4373 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3625 2.4457 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1069 0.5989 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7550 -1.2002 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -1.8874 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0496 -1.3292 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 -0.8436 1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 -1.4395 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5047 1.0208 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3088 0.7048 -0.8099 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