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
    3.1481    0.4247    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -0.4476   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3602   -1.1058   -1.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391   -0.5895    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436    0.0400   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573    0.5750   -1.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6652    0.0278   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0834   -0.5372    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637    0.6388   -1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574    0.5862   -0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952    1.4340    0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220    0.0045    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.1900    1.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008   -1.6853    0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1249   -0.5591    1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -0.9908    1.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5060   -0.0558   -1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489    1.5870   -0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201    0.8431   -2.0771 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