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
2.2170 -0.5187 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0530 0.0041 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1317 -0.6800 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 -0.6851 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7138 0.7675 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 1.6595 0.2848 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 1.2667 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2945 1.9419 1.4388 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4900 -1.4609 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9298 -0.0696 1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4790 -1.6955 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0582 -0.0272 -1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 -0.9327 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9405 -1.3326 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9307 0.9666 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6100 0.7962 0.5050 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