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
    2.9370    0.7892    0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740    0.9578    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014   -0.1289   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.0333   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907    0.2946   -2.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742   -0.0859    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1403   -0.3350    1.2953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8214    0.0624   -0.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8364   -0.0534    0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243   -1.4867   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3559    0.1031   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    0.2425    1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    1.7139    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121    0.8079    1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    1.9513   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6177    0.0013   -1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176    0.4219   -2.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0404    0.3857   -2.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162    0.2958    1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2924   -1.0692    0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6568    0.6403    0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617   -1.7977   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -2.2519   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296   -1.4924    1.0911 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