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
2.2424 -0.3722 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9893 -0.0050 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0751 -1.0242 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -0.4544 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4301 0.7682 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6972 1.7921 0.0076 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6238 1.4072 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 2.2415 -0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4766 -1.4267 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0297 0.3433 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0891 -1.8575 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0115 -1.5146 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9592 -0.2237 -1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0715 -1.2137 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8526 0.4633 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4411 1.0764 0.9546 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