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
2.2598 -0.5768 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0601 -0.0394 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0927 -0.7782 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2484 -0.6303 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 0.8119 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 1.6808 0.4384 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 1.3314 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7300 2.1345 0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3824 -1.6001 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0433 0.0148 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1439 -1.8236 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4119 -0.2830 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9410 -1.1141 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1156 -1.1499 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2086 0.9304 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 1.0917 -0.4843 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