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
2.1705 -0.7436 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 -0.1165 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1747 -0.7457 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4515 -0.3707 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3899 0.8328 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4020 1.7786 -0.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 1.2997 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9207 1.9725 -0.4052 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2426 -1.7725 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0417 -0.2845 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2333 -0.3796 1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0354 -1.8528 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2712 -0.2779 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7773 -1.2341 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1779 0.5468 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 1.3475 -0.7630 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