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
   -2.2694    0.3899    0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527    0.3010   -0.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   -0.7154   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5365   -0.4954   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -1.4741    0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.7985   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    1.8147   -0.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3589    0.9892    0.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0327    2.2376    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -2.1296   -0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838    1.3102    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268   -0.4478    1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    0.5017    1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054    1.2783   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065   -0.0201   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468   -0.6010   -1.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777   -2.4418    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137   -1.3202    1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1801    2.4938    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309    3.0233    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0591    2.0345    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4118   -2.4458    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526   -2.8003   -1.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0737   -2.2813   -1.3695 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