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
2.2461 -0.3996 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9921 -0.0541 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 -1.0828 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2432 -0.3352 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 0.6207 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7372 1.6989 -0.1599 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6128 1.3587 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4522 2.2781 0.2016 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5631 -1.4222 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9999 0.3506 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 -1.8894 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 -1.4726 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 0.2771 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0585 -1.0040 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5085 0.1253 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7046 0.9506 -0.1039 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