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
   -1.3265    1.2891    1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318   -0.1370    0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229   -1.1171    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -0.8195   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997   -1.5534   -1.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.1640   -1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1896    0.3100   -2.4066 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4616    0.9917   -0.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    1.9280   -0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305   -1.4950    1.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303    1.6884   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    1.9364    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4011    1.4465    1.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -0.4083    1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447   -0.1468    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -2.1080    0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505   -2.3217   -1.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254   -1.3467   -2.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    1.6115   -1.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    2.9373   -0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321    1.9124   -0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104   -0.6310    2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -2.2935    2.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677   -1.8373    1.0048 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