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
Resources
cid=

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
    3.2244   -0.0343    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872   -0.2198   -0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762   -0.0640   -1.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7404   -0.5954    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.3318   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    1.2971   -0.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6687    0.1089    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887   -0.8979    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    1.0302    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185    1.0512    0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109   -0.7096   -0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0647   -0.2729    1.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093   -1.6477   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.5811    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -1.6122    1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -1.0436    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3569    0.5327   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350    1.9887   -0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3820    1.3379    0.8853 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