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
   -2.8921    0.4044   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996   -0.7771   -0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -1.0973   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -0.0680   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0691    1.0177   -1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979   -0.2417    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432   -1.2862    0.9054 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    0.6880    0.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7858    0.5392    0.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2535    0.9818    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3541    1.0871   -0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7520    0.0340    0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048   -0.6223   -1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -1.6776   -0.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876   -1.9950   -0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -1.4710    0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    1.7804   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356    1.1483   -1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835   -0.4650    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589    1.3419    1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5128    0.6784   -0.1479 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