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
2.2687 -0.2311 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9953 0.0511 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 -1.0315 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 -0.6987 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 0.6671 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7927 1.6100 -0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 1.3945 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3554 2.3704 -0.3591 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9859 0.5310 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6191 -1.2110 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 -0.9349 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4021 -2.0353 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0184 -1.4463 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 -0.6660 -1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5618 0.7478 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7346 0.8832 -0.2593 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