Monomers
5-Methylhex-5-ene-2,4-dione
Identifiers
IUPAC name
5-methylhex-5-ene-2,4-dione
InchI
InChI=1S/C7H10O2/c1-5(2)7(9)4-6(3)8/h1,4H2,2-3H3
InchI Key
RKAZWPVRTYSEED-UHFFFAOYSA-N
SMILES
CC(=O)CC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)CC(=O)C
Isomeric SMILES
CC(=C)C(=O)CC(=O)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
34.14
MolLogP
1.1107
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
19 18 0 0 0 0 0 0 0 0999 V2000
3.3425 -0.1777 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9719 -0.6792 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -1.7284 0.8426 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8175 0.1409 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4747 -0.4883 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4961 -1.5751 0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6979 0.1796 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6580 1.3325 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0298 -0.3991 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6279 0.5484 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0844 -1.0205 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 0.3519 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9251 1.1494 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8382 0.3007 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5663 1.8481 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7053 1.8157 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7943 0.4083 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3512 -1.1236 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0627 -0.8838 1.0589 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
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
4 13 1 0
4 14 1 0
8 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers