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
2.2011 -0.3879 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9963 -0.0884 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0835 -1.1017 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4383 -0.4841 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4656 0.9125 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5793 1.7198 -0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7427 1.2881 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6450 2.0867 -0.8091 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9765 0.3347 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 -1.4241 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1074 -1.6766 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0261 -1.8254 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 -1.1332 0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7395 -0.3776 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0781 0.8184 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4654 1.3387 0.3015 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