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
2.3069 0.0669 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 0.1810 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1900 -1.0313 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1499 -0.7913 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7836 0.3921 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0758 1.5364 0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3115 1.4631 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9873 2.4938 0.3588 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7843 -0.8837 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9012 0.9438 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0327 -1.0493 -1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6661 -1.9515 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8722 -0.4641 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7797 -1.6760 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8700 0.4638 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 0.3062 -1.3734 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