Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=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
    4.1883    0.3861   -1.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946   -0.3101   -0.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847    0.4363   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    1.6937   -0.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -0.2274   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6402   -1.5462   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5388    0.5828    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -0.1636    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128   -0.9543   -0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629    0.8791    0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.0458   -2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430    1.4904   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724    0.1434   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728   -2.0614    0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5344   -2.1139   -0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548    1.3785   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932    1.1167    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7456   -0.8075    1.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -0.9253   -1.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2617   -0.4832   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945   -1.9995   -0.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592    1.6568    1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1577    1.4066   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7576    0.3761    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 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