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
    4.3071   -0.2115    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334   -0.1902   -0.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.1304    0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631    0.4077    1.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5937    0.1369   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336   -0.1558   -1.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6193    0.4667    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8754    0.3195   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1425   -1.0814   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380    0.8220    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2740    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437    0.0883    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    0.3854   -0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -0.1887   -2.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4808   -0.4070   -2.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5386    1.4767    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662   -0.2646    1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    0.9824   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -1.4983   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695   -1.7376   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4894   -1.0802   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6920    1.6633    1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516    0.0357    1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8313    1.1742   -0.3282 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