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
   -3.0987    0.8552    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0639   -0.1561   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    0.3834   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -0.7024   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143   -1.9001   -0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -0.4491   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198   -1.3927   -1.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.7836   -0.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    0.9220   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7191    1.5980    1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667    0.2777    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5089    1.4158   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3491   -0.5104   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1184   -1.0088    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3359    0.6638    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    1.2449   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4716   -2.6596   -1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511   -2.1681   -0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496    1.0416   -1.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0594    1.7612    0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756   -0.0000   -0.1986 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