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
    5.9383   -0.5330    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5367   -0.3772    0.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    0.1282    1.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5287    0.4384    2.4298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    0.3169    1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.0137    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3099    0.1865    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602    0.6526    1.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -0.1198   -0.7078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789    0.0387   -0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380   -0.7417    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1292   -0.5337    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    1.5125   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2917   -0.2960   -2.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3297   -0.4483   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248    0.2615    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1422   -1.5265    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368    0.7223    2.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605   -0.4169   -0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169   -1.8299    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3568   -0.3393    1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3460    0.5246    0.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5856   -0.9544   -0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5735   -1.0951    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    1.7648    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679    2.1152   -1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2774    1.6185   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3248   -0.6003   -2.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6416   -1.0711   -2.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    0.6163   -2.8160 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