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
2.2295 -0.3099 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9806 0.0048 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0130 -1.0987 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2617 -0.5053 0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6502 0.6683 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 1.7172 0.0455 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6172 1.3942 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4919 2.2645 0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5266 -1.3508 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9588 0.4917 -0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3429 -1.9846 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3595 -1.3325 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0461 -1.2495 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8959 -0.0746 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4966 0.3923 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6926 0.9730 -0.1140 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