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
   -1.0105    1.8220   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6731    0.5655    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7641   -0.5298    0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406   -1.0086   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -2.1981   -0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -0.2673   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894   -0.7641   -1.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142    0.9693   -0.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124    1.6243   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698   -1.6998    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.6770   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130    2.2346    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8359    2.5855   -0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441    0.8188    1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824    0.1851   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -0.1863    1.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8479   -2.5807   -1.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7084   -2.8825   -0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    2.2340   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    2.2920    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8496    0.9242   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611   -2.6012    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415   -1.9156    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018   -1.2980    1.7472 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