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
   -1.9652    1.8208   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781    0.9762    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -0.3358   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651   -1.1523    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097   -2.3532    0.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162   -0.6181    0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566   -1.2946    1.1906 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    0.6246    0.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    1.0858    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653   -1.1438   -0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9090    1.3181   -0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988    2.7077    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4783    2.2092   -1.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    1.5557    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974    0.8309    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933   -0.1389   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9682   -2.7910    0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -2.8867    1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5130    2.0677   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    1.2296    1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1209    0.3936    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3851   -1.3894    0.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6852   -0.6309   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -2.0855   -1.2092 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