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
    3.2475    0.5242   -0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -0.3012   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1721   -1.5125   -0.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972    0.3000   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321   -0.7281   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583   -1.9227    0.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7546   -0.4200    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363   -1.3657    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2721    0.9537   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    0.9396   -1.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219    1.3535    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671   -0.0935   -0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    1.1713    0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035    0.7146   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2766   -2.3691    0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6985   -1.2009    0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282    0.9543   -0.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1562    1.5496    0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829    1.4532   -0.9880 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