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
    4.0468    0.1262   -0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334    0.2518   -0.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223   -0.4999    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753   -1.2820    1.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4855   -0.4338    0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062   -1.1808    1.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    0.4711   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651    0.4200    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4115   -0.8869   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3372    1.5020   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -0.9514   -0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4987    0.5658    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883    0.7329   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667   -1.2024    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -1.8519    2.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0508    0.4151   -1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123    1.5177    0.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953    0.7186    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1422   -1.1249    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280   -0.7707   -1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.7333   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138    1.5787   -0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019    2.4522   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3076    1.1659   -1.9426 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