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
2.1813 -0.6312 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9938 -0.0958 -0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1530 -1.0617 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -0.3771 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5784 0.9551 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 1.8376 0.0519 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 1.3292 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 2.1065 -0.4949 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3204 -1.6826 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0225 0.0184 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4865 -1.3440 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1556 -1.9755 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1050 -1.0112 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8594 -0.3040 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3316 1.4365 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9923 0.7998 -0.8847 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