Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
   -2.0169    1.8151   -0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796    0.9947    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -0.2294   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097   -1.1229    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -2.3502    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804   -0.6790    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807   -1.4770    0.9264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    0.5795    0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    0.9542    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0075   -0.9812   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698    2.9044   -0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493    1.5313   -1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0466    1.6329    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4090    0.7192    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0727    1.6133    0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3964    0.1392   -1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0055   -2.6927    0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -3.0180    0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912    0.0787    0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8328    1.7803   -0.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6716    1.2313    1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -1.8387   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057   -1.2383    0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8008   -0.3465   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  5 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