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
   -1.5595    1.7320   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9925    0.3706    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085   -0.7288   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -0.6419   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -1.4718    0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660    0.2933   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    1.1083   -1.4858 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.2957   -0.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714    1.1737   -0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -2.0127    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4059    2.4643   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622    1.8522   -1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6661    2.0364    0.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544    0.2390   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0102    0.3161    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2224   -0.7756   -1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -1.3977    1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0785   -2.2006    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311    1.5006   -1.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720    2.0334    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279    0.5813   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7314   -2.1095   -0.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193   -2.8811   -0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554   -1.7772    1.2289 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