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
2.3234 -0.1168 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0558 0.1122 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0334 -0.7099 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 -0.8066 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 0.5728 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 1.4514 -0.7684 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4961 1.1524 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 1.7612 -1.5965 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6677 -0.8961 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0583 0.4612 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 -1.6963 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2496 -0.0887 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 -1.6110 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7459 -0.9917 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9090 0.8304 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7864 0.5754 -0.6251 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