Monomers

Fumaric acid 1-methyl 4-tert-pentyl ester

Identifiers

IUPAC name
1-O-methyl 4-O-(2-methylbutan-2-yl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-10(2,3)14-9(12)7-6-8(11)13-4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
ZUXMGIMZRCLDCZ-VOTSOKGWSA-N
SMILES
COC(=O)/C=C/C(=O)OC(CC)(C)C
Canonical SMILES
CCC(C)(C)OC(=O)C=CC(=O)OC
Isomeric SMILES
CCC(C)(C)OC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4474
H Bond Acceptors
4
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    5.8683    0.6521   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4977    0.3299   -0.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.9555    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   -1.8992    0.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953   -1.1602    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546   -0.1465    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291   -0.4150    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0885   -1.5917    0.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700    0.6322    0.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.4308    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054   -0.4453   -0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0177   -0.6245   -0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016    1.8083    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -0.0517    1.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757    1.7232    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4393    0.1024    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2209    0.3884   -1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225   -2.1688    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.8692    0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0337   -1.4453   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181    0.0005   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839   -1.2132   -1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1913   -1.1305    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738    0.3794   -0.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6093    1.7950    0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7450    2.0140   -0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9261    2.5306    0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3656    0.2330    1.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1215   -1.1272    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684    0.4858    2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 10 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  6 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers