Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.3489    0.6462    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024   -0.3515    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254    0.4320   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770   -0.3989   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456   -1.7080   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805    0.2476   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604    1.4941   -0.0738 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.4704   -0.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.2317   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3074    0.1937   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4746    1.0416    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1704    1.5307   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2530   -0.9395    0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348   -0.9986   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408    1.0881    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694    1.1592   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -2.3075   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7087   -2.1941   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155   -0.3467    0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9220    1.1910    0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528    0.4594   -1.2605 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
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 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
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers