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
    3.1605    1.8685   -1.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714    1.2276   -1.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    1.4894    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716    2.3196    0.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    0.8244    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472    1.0820    1.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202   -0.1391   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5878   -0.8649    0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2475   -1.7033    1.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930   -1.8027   -0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4752    2.6399   -0.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    1.0920   -1.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966    2.3299   -2.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    1.8081    2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580    0.6297    2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577    0.3302   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004   -0.9412   -0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032   -0.1783    0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905   -1.5957    2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1911   -1.5096    1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453   -2.7859    1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314   -1.3787   -1.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -2.0191   -0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467   -2.7227   -0.8101 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