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
   -1.7705   -1.1263    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0141    0.3183   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162    1.1207   -0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    1.2399   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    2.4527    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2983    0.1858    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    0.4533    0.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293   -1.1039   -0.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581   -2.0337    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524   -1.6724    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307   -1.6786   -0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.2556    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565    0.3757   -0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3022    0.7795    0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399    0.7849   -1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    2.1620   -0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5273    2.5731    1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164    3.2972    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977   -1.5451    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -2.4356   -0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675   -2.8919    0.6102 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