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
   -3.2585    0.2697   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423    1.1275    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    0.7437   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -0.7121    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7472   -1.1827   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416   -2.1839   -1.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0221   -0.5713   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.9587   -0.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705    0.4914    0.7300 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984    1.1102    1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4595   -0.5427    0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1754    0.8615   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620   -0.1852   -1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    2.1811    0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0071    0.9735    1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006    1.4095    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.7942   -1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303   -1.3754   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4580   -0.8029    1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6637   -2.5438   -1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569   -2.6949   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    1.7095    0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976    1.7250    1.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0694    0.3565    1.3739 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