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
   -3.7771    0.8904   -0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382   -0.0695   -0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839    0.2812   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764    1.5183   -0.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -0.6738    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513   -1.9420    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   -0.2537    0.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301    0.4136   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719    0.7907    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090   -0.5358   -1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300    1.2128   -2.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    1.7677   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053    0.4937   -0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934   -2.7146    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9290   -2.2405    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027    0.5042    1.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2988   -1.1018    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089    1.3084   -0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0768    0.2592    1.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    0.5126   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492    1.8993    0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -1.4290   -1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -0.0049   -2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -0.8863   -1.3251 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