Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
   -3.2606    0.3923   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0617   -0.3346   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317    0.2475    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4225   -0.3306   -0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273   -1.3457   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6714    0.2494   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376    1.2325    0.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -0.2503   -0.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1329    0.3134    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.1665    1.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6594   -0.1754    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0221    0.6333   -0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341    1.3824    0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1051   -0.1999   -1.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1302   -1.4218   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7995    1.3472   -0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412   -1.7833   -1.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045   -1.7643   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6110    0.8759   -0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.8862    0.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127   -0.5419    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -0.6692    1.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022   -0.0011    1.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556    1.0914    1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  5 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