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
2.2592 -0.0892 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9851 0.1069 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0315 -1.0128 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 -0.7214 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7584 0.5677 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8793 1.6184 0.5212 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4691 1.3792 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 2.3102 0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9763 0.7124 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6570 -1.0287 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3454 -0.9605 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4741 -2.0023 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8536 -1.5702 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6899 -0.6047 1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7073 0.5757 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7791 0.7191 0.4770 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