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
   -3.0630   -0.3472   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986   -1.0994    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401   -0.2447   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6685   -0.8513    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   -1.9688    0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8679   -0.1605   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215   -0.6215   -0.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200    1.0246   -0.9942 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    1.6881   -1.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    1.1273    0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909    0.4513    0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8353    0.1940   -1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262   -1.0111   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7508   -2.0931   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -1.1923    1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921   -0.1787   -1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7318   -2.3871    1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1232   -2.4686    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7011    1.6688   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4323    1.2179   -2.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088    2.7479   -1.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898    1.5303    0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1457    1.8179   -0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834    1.1559    1.3560 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