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
2.3395 -0.2320 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0398 0.0002 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0239 -1.0691 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1665 -0.3621 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7856 0.4879 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8280 1.4601 -0.7413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 1.3061 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 2.2586 -0.6457 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7167 -1.1969 0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0310 0.5689 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3839 -1.9127 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2879 -1.3958 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 -1.0615 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7779 0.3787 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9618 -0.1774 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 0.9472 -0.0388 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