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
-2.2150 -0.4846 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0627 -0.0034 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0422 -0.8778 0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2886 -0.6134 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6052 0.8104 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 1.7265 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7028 1.4078 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5994 2.2342 -0.3202 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 0.1165 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3848 -1.5349 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3754 -1.9050 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0058 -0.5965 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 -1.2179 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0603 -1.0794 0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5959 1.0586 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8008 0.9588 -1.3032 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