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
2.1287 -0.4970 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0357 -0.0675 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 -1.0525 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 -0.5045 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 0.8533 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5014 1.7437 0.3644 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7078 1.3473 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5236 2.2038 -0.5713 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8342 0.1886 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3373 -1.5493 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2505 -1.2223 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 -1.9845 -0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1253 -1.1820 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3614 -0.3490 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4677 1.2642 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7378 0.8076 1.7567 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