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
2.1327 -0.2262 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9797 0.0554 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 -1.0460 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1120 -0.6173 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6592 0.6932 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6871 1.6883 -0.5791 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6198 1.3989 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4877 2.3240 -0.1352 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8642 0.5443 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3597 -1.2200 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4712 -1.9864 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4955 -1.1755 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8732 -1.4092 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 -0.4955 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6531 0.9342 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7129 0.5380 0.8591 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