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
    4.2852    0.3530    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -0.3376    0.0591 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    0.3100    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319    1.4844    0.7430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5953   -0.3405    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127   -1.5555   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6002    0.4595    0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062   -0.1702    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2055   -0.5937   -1.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9983    0.7646    0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7900   -0.1505    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0849    1.3934    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    0.3193   -0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2840   -2.1023   -0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -2.0520   -0.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5522    0.7341    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035    1.4180   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214   -1.0898    0.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096   -1.6231   -1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    0.0738   -1.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3288   -0.4271   -1.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240    0.8724    1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7913    1.7823    0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9901    0.4777    0.1324 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