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
   -2.0895   -1.0195    0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1064   -1.1022   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7531    0.2582   -1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459    1.1531   -0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6987    2.2971    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0928    0.7653    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341    1.5230    1.2361 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390   -0.4305    0.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377   -0.7422    0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -1.7313    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564   -0.0119    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1213   -1.3322    0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1829   -1.6358   -0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -1.6608   -1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6561    0.6892   -1.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384    0.0608   -2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2503    2.9318    0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6202    2.5929   -0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2336   -0.0147    1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8298   -1.7718    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402   -0.8185   -0.0298 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