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
2.2776 -0.3880 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0153 -0.0268 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0400 -1.0439 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2760 -0.5037 -0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6802 0.7285 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7380 1.7528 -0.0386 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 1.3562 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4959 2.2320 -0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0292 0.3645 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5799 -1.4201 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2211 -2.0314 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -1.1521 1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8924 -0.1337 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0599 -1.2519 -0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7076 0.9989 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5647 0.5186 1.3667 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