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
3.0800 -0.0766 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0255 -0.4791 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3027 -0.4983 -1.9395 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 -0.8331 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2313 0.3491 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2077 1.4115 -0.8924 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6065 0.2027 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0357 -0.9276 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5605 1.3355 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6143 0.3515 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6964 0.7302 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6875 -0.9728 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6847 -1.1371 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2073 -1.6389 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0600 -1.0331 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3206 -1.7587 0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3336 1.9018 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4367 2.0644 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6148 1.0086 -0.0046 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