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
   -2.0839    0.7512    0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716    0.7366   -0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118   -0.6793   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275   -1.1588    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.2154    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860   -0.4752    0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038   -0.8437    1.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    0.6385   -0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    1.3390   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373    0.0943    1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1370    0.3865    0.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1452    1.7570    1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646    1.4672   -0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    0.9805   -1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381   -0.7276   -1.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8130   -1.3236   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3751   -2.5801    1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -2.7302    0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    1.1101    0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938    1.0475   -0.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913    2.4255   -0.2871 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