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
   -2.7470    1.2464    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472    0.9294   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861   -0.4317    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754   -0.6677   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7169   -1.6550   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755    0.1818    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810    1.1283    1.0708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -0.0037   -0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9473    0.8489    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353   -1.5061   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7353    2.2721    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4740    1.2284   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1252    0.5169    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3317    0.8972   -1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6364    1.6886    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748   -0.4671    1.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133   -1.8178   -1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0770   -2.3017   -1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0371    0.8821    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.4693   -0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700    1.8704   -0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.4431   -1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521   -2.4710    0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382   -1.3951    0.3348 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