Monomers
Hex-5-ene-2,4-dione
Identifiers
IUPAC name
hex-5-ene-2,4-dione
InchI
InChI=1S/C6H8O2/c1-3-6(8)4-5(2)7/h3H,1,4H2,2H3
InchI Key
MSLCOWHBLCTBOW-UHFFFAOYSA-N
SMILES
CC(=O)CC(=O)C=C
Canonical SMILES
CC(=O)CC(=O)C=C
Isomeric SMILES
CC(=O)CC(=O)C=C
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
34.14
MolLogP
0.7206
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
-2.5539 0.0935 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 0.8624 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6450 1.6356 -1.2974 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0458 0.7169 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5504 -0.5377 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1820 -1.2605 -1.1527 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8994 -0.9757 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7754 -0.3381 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6481 -0.8634 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -0.2387 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5227 0.6044 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5989 1.5405 -0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0103 0.8170 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2175 -1.9273 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7911 -0.7413 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6127 0.6123 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
4 12 1 0
4 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers