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
    4.2440    0.3850   -1.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403    0.3263   -0.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456   -0.1052   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698   -0.4796   -2.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5968   -0.1571   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806    0.2359    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6642   -0.6060   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8106   -0.4145    0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1024   -0.9418   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0567    1.0541    0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1307    1.1953   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0305    0.7358   -0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486   -0.5758   -1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6393    0.5747    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587    0.2170    1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470   -1.6651   -0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294   -0.0179   -1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -0.9821    1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973   -0.3609   -1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -0.7716    0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193   -2.0056   -0.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980    1.2544    1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062    1.3938   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    1.7109    0.3581 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