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
2.6675 -1.3836 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 -0.8251 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4058 -1.6628 -0.7034 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0201 0.6454 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4424 0.8155 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 1.2000 -1.7852 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3402 0.5530 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8447 0.1639 1.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8175 0.6939 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4081 -0.8276 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7003 -2.4606 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8945 -1.2504 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5879 1.0946 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3067 1.1005 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5798 -0.0196 2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2051 0.0390 1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1361 1.6101 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2245 -0.2033 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2487 0.7170 1.3700 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