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
   -2.4178    0.1739    0.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -0.9279   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.4702   -1.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    0.3375   -0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2512    1.5616   -1.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -0.1835   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0660   -1.3544    0.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067    0.5632    0.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -0.0614    1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    1.1317    0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -0.1223    1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    0.3933    0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -1.6656    0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074   -1.5137   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -1.4144   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6846    0.0767   -1.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913    2.0414   -1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    2.1694   -1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445   -0.3628    2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1503    0.6160    1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -0.9885    0.6966 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