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
2.2371 -0.5680 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 -0.1073 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1081 -1.0434 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 -0.2980 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6988 0.7812 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6438 1.6646 -0.4063 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7001 1.2964 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 2.1709 -0.4783 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 0.1054 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4562 -1.6121 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 -1.2358 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1861 -1.9874 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5990 0.2263 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9166 -0.9948 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 1.3172 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 0.2848 -1.0252 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