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
    3.3150    0.8671   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -0.1496    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    0.5017   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.3750    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189   -1.6254    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763    0.1659   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7234    1.3326   -0.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054   -0.6114    0.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0255   -0.0966   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692    0.4265   -0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239    1.0994    0.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    1.8036   -0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244   -1.0463   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637   -0.3968    1.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.8477   -1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    1.4310    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742   -2.2251    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8582   -2.0290    0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0956    0.9540    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662   -0.1120   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7637   -0.7623    0.3108 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