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
2.8876 0.5800 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1224 -0.5440 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7633 -1.3512 -0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6958 -0.7830 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1589 0.1831 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2809 1.1493 -1.0429 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5890 -0.0209 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1116 -1.0283 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4767 0.9728 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3481 1.5500 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7814 0.7825 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2943 0.3474 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -1.8065 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3638 -0.6971 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1528 -1.2451 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 -1.7156 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4428 1.8757 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 1.1958 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4855 0.5551 -1.0747 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