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
2.1621 -0.7218 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0687 -0.1429 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0052 -0.8881 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3026 -0.4834 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 0.9897 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4022 1.7544 0.3054 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8070 1.2880 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6807 2.0089 -0.7141 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9502 -0.2008 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2777 -1.7822 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0074 -0.5804 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0871 -1.9824 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1480 -1.1041 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2088 -0.7582 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3431 1.2246 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0368 1.3786 -0.8403 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