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
-2.2231 -0.5086 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -0.1017 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1142 -1.0862 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3727 -0.4048 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5348 0.8650 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6151 1.8059 0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 1.2869 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5606 2.0102 0.8412 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 -1.5300 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 0.1972 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2698 -1.2461 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0924 -2.0347 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1223 -0.1226 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2474 -1.0533 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1405 0.6881 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5623 1.2348 -0.4376 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