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
2.1777 -0.7166 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9839 -0.2237 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1891 -1.0583 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4928 -0.3254 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3501 1.1674 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 1.6623 0.7245 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8567 1.1265 0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8395 1.7825 1.1056 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3186 -1.7032 -0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0599 -0.1304 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0288 -1.5453 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2079 -1.8796 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1524 -0.7237 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0086 -0.5101 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 1.6219 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0481 1.4559 -1.2527 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