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
   -1.5511    1.8332   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0392    0.5358    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -0.6806    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381   -0.7036    0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544   -1.3960    1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200   -0.0316   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9689    0.6058   -1.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044   -0.0987    0.3497 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6109    0.5318   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4119   -1.2104   -1.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240    1.8769   -1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    2.6174    0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    2.1492    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287    0.3717    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0715    0.5998    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733   -1.5152    0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -1.9242    2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662   -1.4346    2.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    1.6017   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    0.3364   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    0.0894    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012   -1.9630   -1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657   -1.7569   -1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311   -0.4342   -2.0840 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