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
   -1.7782    1.2896    0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798   -0.0783    1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9187   -0.9679    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.3588   -0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832   -0.0368   -1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722   -0.1211    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503   -0.4303    1.4324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.4503   -0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7427    0.6477    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0571   -1.1673   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987    1.5933   -0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013    1.3471    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328    2.0629    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093   -0.6219    1.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5717   -0.0193    2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -1.9652    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256   -0.2125   -2.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    0.4074   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468    0.4795    1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039   -0.1103    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1662    1.6603    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -0.2471   -1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8710   -1.7507   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -1.8507   -1.5998 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