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
2.1488 -0.7308 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0166 -0.1819 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1795 -0.9827 -0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4737 -0.3213 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3652 1.0484 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3595 1.8348 -0.1843 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9200 1.2636 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9667 1.9423 -0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9866 -0.1261 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2067 -1.7978 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1019 -1.1893 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0793 -1.9930 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1229 -0.3280 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0188 -0.9663 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2003 0.9577 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3445 1.5703 0.2750 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