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
2.0634 -1.0118 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0283 -0.3091 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2596 -0.9610 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3457 -0.1984 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4041 1.1907 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1375 1.7719 -0.4033 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0589 1.1387 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1730 1.7306 -0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9901 -0.4932 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9515 -2.0714 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 -2.0234 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4800 -0.8698 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 -0.6587 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1263 -0.2331 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9131 1.1498 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0209 1.8483 0.4308 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