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
2.1801 0.5427 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9092 0.3794 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3436 -0.9848 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 -1.0570 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5928 0.1797 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3463 1.2623 -0.3566 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 1.5191 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 2.6252 -0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8084 -0.3138 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6048 1.5210 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4519 -1.2488 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -1.7320 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7091 -1.2521 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1897 -1.8946 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1548 0.3868 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6896 0.0669 0.6647 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