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
    4.0539   -0.7594   -1.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.0670   -0.9512 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4611    0.9293   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    1.1899   -0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086    1.7237    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3288    1.6470    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120    0.7767    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999   -0.1064   -0.7057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    0.8662    0.3732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106    0.0433   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.4208   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485   -1.6356    1.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614    0.3511   -1.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3155    0.4060    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541   -1.7190   -1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082   -1.0047   -2.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378   -0.1298   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    2.5201    1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    2.3839    1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881   -1.8506   -0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -1.9675   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853   -2.6423    1.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.8921    2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960   -1.4596    1.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.2771   -2.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    1.4232   -1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539    0.2108   -2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6391    1.3098   -0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.4167   -0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3739    0.5677    1.2714 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