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
    3.0476   -0.7327    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584   -0.4261    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295   -1.0901    1.5887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776    0.6743   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850    0.9702    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    2.0450    1.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5454    0.1628    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399   -0.9683   -0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942    0.6056    0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135   -0.1454   -0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7246   -0.5598    1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555   -1.8083   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190    1.5865    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9358    0.3942   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574   -1.3113   -0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362   -1.5314   -0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3365   -0.1151    1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5388    0.6085   -0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841    1.6415    0.9909 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