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
2.2558 -0.1215 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0013 0.1272 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 -0.8420 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0731 -0.7888 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7169 0.5809 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7669 1.6225 -0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 1.3583 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4922 2.1722 -0.7106 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 -1.0530 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0797 0.5395 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5714 -0.4915 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3350 -1.8701 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5515 -0.9473 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8749 -1.5315 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2066 0.6325 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4803 0.6127 -1.2381 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