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
2.2366 -0.4590 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0262 0.0372 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0067 -0.8165 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3972 -0.4219 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5359 0.6162 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 1.6966 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6923 1.3779 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6327 2.1390 0.7231 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9952 0.1417 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4492 -1.4386 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1665 -1.8567 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 -0.8595 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8558 -0.0080 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0419 -1.2851 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5685 1.0363 0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 0.1002 1.6271 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