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
   -1.6999    1.6726    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597    0.4114   -0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061   -0.7751   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -0.6190   -0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166   -1.1411   -1.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    0.0481    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237    0.5448    1.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5078    0.1356   -0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578    0.7694    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592   -1.4696    1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722    2.0808   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676    1.5952    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975    2.4162   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377    0.1926   -0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289    0.6139   -1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181   -1.5594   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340   -1.0544   -2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.6578   -2.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    1.0190   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051    0.1228    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498    1.7185    0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -0.7756    1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -2.0811    1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1885   -2.2077    1.1400 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