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
    4.2998   -0.1275    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -0.6746    0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    0.0886   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597    1.2467   -0.6317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382   -0.4242   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848   -1.6275    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338    0.4693   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.0317   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8306    1.0827   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2796   -0.2249    1.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6009    0.2390    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9828   -0.9277   -0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107    0.7549   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2449   -2.1953    0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058   -2.0322    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4408    1.4249    0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746    0.6796   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1601   -0.9262   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518    1.1628   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4639    2.0354   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8811    0.9138   -0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911   -0.1564    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.4856    1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354   -1.2350    1.2901 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