Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.8015   -1.0445    0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8509   -0.0879    0.2767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5733   -0.3842   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248   -1.5887   -0.1891 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213    0.6609   -0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225    1.9069   -0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.3720   -1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5837   -0.3405    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544   -0.5566   -0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712    0.4499    1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -2.0007    0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2980   -0.7471    1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464   -1.1542   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3386    2.6815   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    2.1899   -0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249    1.2911   -1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423   -0.3159   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535   -1.3253    0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7753   -0.2363    0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279   -1.6479   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0457   -0.0566   -1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857    1.3738    1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519    0.7463    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5491   -0.1860    2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers