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
   -3.1483    1.2273    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    0.7174   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055    0.6550   -1.2618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252    0.3085    0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -0.1597   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783   -0.1516   -1.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421   -0.6238    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480   -0.6491    1.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -1.0822   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919    0.8122    1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2099    2.3316    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0292    0.8324    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    1.2252    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -0.4971    1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -0.3262    2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9066   -0.9913    1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726   -2.2013   -0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -0.6546   -1.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6496   -0.7727   -0.3320 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