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
   -2.5858    1.0418   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3815    0.4282    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8436   -0.6391   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -1.3407    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -2.6405    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476   -0.5811    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349   -1.2244    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052    0.7913    0.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820    1.4925    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4712    0.0225   -1.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768    0.2268   -0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.8207   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614    1.4620    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    1.2352    0.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    0.0266    1.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520   -1.3818   -0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810   -3.1857    0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430   -3.2585    0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734    1.3678    1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895    2.5710    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6653    1.1130   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    0.2551   -2.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757   -0.6044   -2.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056    1.0018   -1.5501 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