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
   -2.8599    1.0114    0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    0.7657   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8185   -0.4333    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388   -0.6388   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8468   -1.7157   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747    0.4098    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3319    1.4616    0.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8096    0.2213   -0.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8776    1.1696   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704   -1.6297    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855    0.9939    1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931    2.0154   -0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5933    0.2770   -0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    1.6608   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    0.6158   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -0.2531    1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239   -1.8273   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238   -2.4824   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137    2.1447   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    1.2509   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392    0.8148    0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804   -2.5384    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999   -1.5342    0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7555   -1.7598   -0.9755 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