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
2.3064 -0.1130 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0599 0.1110 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 -0.9735 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.7560 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7590 0.5867 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 1.5575 -0.4321 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5209 1.4664 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2404 2.4813 0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9694 0.6880 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6338 -1.1450 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1176 -0.9324 -1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5753 -1.9262 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8542 -1.5857 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9559 -0.9346 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1587 0.9696 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5786 0.5059 -0.7097 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