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
2.1676 -0.4810 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 -0.0054 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.8508 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 -0.5637 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.7268 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6323 1.7415 -0.0354 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 1.4280 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6199 2.2438 0.3303 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3758 -1.5330 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9114 0.0967 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3171 -1.9291 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1092 -0.6165 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0700 -0.5817 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6642 -1.3852 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5641 1.1130 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4672 0.5966 1.5112 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