Monomers

Methyl 2-methylidenehexanoate

Identifiers

IUPAC name
methyl 2-methylidenehexanoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
USUBUUXHLGKOHN-UHFFFAOYSA-N
SMILES
CCCCC(=C)C(=O)OC
Canonical SMILES
CCCCC(=C)C(=O)OC
Isomeric SMILES
CCCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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

 24 23  0  0  0  0  0  0  0  0999 V2000
   -4.0214    0.3334   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255    0.8257   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952   -0.2979   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775    0.4133   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8863   -0.4755    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8009   -1.7865    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020    0.1626    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553    1.4054   -0.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516   -0.6248    0.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025    0.0279    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517    0.8442   -1.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5385    0.7391    0.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1603   -0.7437   -0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    1.3567   -1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4119    1.5467    0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -0.9553   -0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7753   -0.8821    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    0.9830   -1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763    1.0975    0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1392   -2.3103    0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881   -2.3789    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6647    0.6008   -0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4298   -0.6667    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518    0.7853    1.0744 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  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  6 20  1  0
  6 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers