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
3.0920 -0.3670 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 0.1548 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4975 1.3023 0.3749 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7636 -0.6567 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4540 0.1198 -0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4859 0.8336 -1.9599 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5927 0.1081 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5957 -0.6125 1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8021 0.9301 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2062 -0.5018 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3259 -1.3529 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 0.3774 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2356 -0.9453 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5346 -1.5942 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 -0.5776 1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7470 -1.2079 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6108 0.7073 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0605 0.7354 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4762 1.9944 -0.2184 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