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
2.3428 -0.2388 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0741 0.0525 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 -0.9558 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2239 -0.7070 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7312 0.6768 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7427 1.6550 -0.0116 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6057 1.4467 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4242 2.3857 -0.0755 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6574 -1.2588 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0778 0.5025 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2493 -0.8388 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4052 -1.9798 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0114 -0.9439 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9698 -1.4514 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3819 0.9762 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 0.6789 0.8253 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