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
2.1609 -0.6157 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 -0.0929 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1547 -0.9169 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -0.4285 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3580 0.8856 0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5140 1.7890 -0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8041 1.3701 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 2.1233 -0.3292 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0104 -0.0330 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2612 -1.6874 0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0199 -1.9977 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 -0.8654 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2344 -0.2997 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8164 -1.1813 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9267 0.6498 1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3661 1.3006 0.7832 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