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
2.2587 -0.3731 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 -0.0283 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0880 -1.0839 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 -0.3433 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 0.6314 -0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 1.7146 -0.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6011 1.3838 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4164 2.2427 0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0009 0.3973 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4893 -1.4297 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1798 -1.6426 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1354 -1.7752 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2686 0.2412 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2639 -0.9966 0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0244 0.1480 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5247 0.9136 -0.9496 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