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
   -3.3566    0.0916   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640   -0.5022    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8495    0.1657   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.4494    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474   -1.3921    1.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910   -0.0222   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8332    0.8770   -1.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593   -0.6045    0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448   -0.2803   -0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068    1.6446   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4486    1.1612   -0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4303   -0.1561   -1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776   -0.4185    0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -0.3614    1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -1.5767    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8604    0.0235   -1.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -1.8497    1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091   -1.7129    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -1.1880   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1348    0.0568   -1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5463    0.4890    0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663    1.8199    0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    1.9191    0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651    2.2656   -0.8676 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