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
    2.0913    1.6958    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529    0.7990   -0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154   -0.1882    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3845   -1.1129    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718   -2.3989   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680   -0.5560   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4964   -1.3971   -0.8679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534    0.7950   -0.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.2057   -0.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -0.9943    1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.6609   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    1.8170    1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    1.1578    0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    0.2935   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815    1.3896   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346    0.3459    1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9656   -3.0385   -0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -2.8231    0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999    1.4767   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5694    2.0924   -0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9349    0.3854   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -0.3180    1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521   -1.5620    0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496   -1.7256    1.8164 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