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
2.3248 -0.3497 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 -0.0091 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0370 -0.9573 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 -0.6217 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7166 0.7944 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6593 1.7181 -0.3393 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6660 1.3056 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5197 2.1204 -0.7632 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1247 0.3343 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5891 -1.3306 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 -1.9656 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2137 -0.9361 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9433 -0.7071 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0620 -1.3118 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5082 0.9721 -0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2146 0.9439 0.8567 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